From fe2e7f73c4897eb5b544a09e3166add5627768f7 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 2 May 2025 21:59:23 +0100
Subject: [PATCH 01/98] First commit - made a mockup of NeutronFluxProfile
 calculator.

---
 process/neutronics.py | 376 ++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 376 insertions(+)
 create mode 100644 process/neutronics.py

diff --git a/process/neutronics.py b/process/neutronics.py
new file mode 100644
index 0000000000..36c191e695
--- /dev/null
+++ b/process/neutronics.py
@@ -0,0 +1,376 @@
+"""
+Most of derivation is basd on the book Reactor Analysis, Duderstadt and Hamilton, 1976,
+ISBN:9780471223634.
+"""
+
+import functools
+
+import numpy as np
+from numpy import testing as npt
+from scipy.constants import Avogadro
+from to_be_built_later import extract_atomic_mass, get_avg_atomic_mass
+
+BARNS_CM2 = 1e-24
+N_A = Avogadro
+
+material_density_data_bank = ...
+material_composition_data_bank = ...
+xs_data_bank = ...
+
+
+def groupwise(func):
+    """Rename the current func as groupwise_func, and over-write the current method
+    as one that sums up all group-wise func.
+    """
+    method_name = func.__name__
+    groupwise_name = f"groupwise_{method_name}"
+
+    @functools.wraps(func)
+    def wrapper(self, *args, **kwargs):
+        groupwise_func = getattr(self, groupwise_name)
+        return np.sum(
+            [groupwise_func(n, *args, **kwargs) for n in range(1, self.n_groups + 1)],
+            axis=0,
+        )
+
+    def wrapper_setattr(cls):
+        """Save the decorated (groupwise) function under a different name after it has
+        been created, then overwrite the current method with the np.sum implementation.
+        """
+        setattr(cls, groupwise_name, func)
+        setattr(cls, method_name, wrapper)
+        return cls
+
+    # Instead of returning a function, we return a descriptor that registers itself later
+    return RegisterLater(wrapper_setattr)
+
+
+class RegisterLater:
+    """Descriptor class"""
+
+    def __init__(self, installer):
+        """Modifies the class AFTER it has been created."""
+        self.installer = installer
+
+    def __set_name__(self, owner, name):
+        """Re-write method name"""
+        self.installer(owner)
+
+
+def get_diffusion_coefficient(
+    total_xs: float, scattering_xs: float, avg_atomic_mass: float
+) -> float:
+    r"""
+    Calculate the diffusion coefficient for a given scattering and total macro-scopic
+    cross-section in a given medium.
+
+    Parameters
+    ----------
+    total_xs:
+        macroscopic total cross-section `\sigma_{total}`, i.e. any reaction between
+        nuclei and neutrons, that either changes the neutron's path or remove it from
+        that energy group.
+        Unit: cm^-1
+    scattering_xs:
+        macroscopic total cross-section `\sigma_{scatter}`, i.e. number of reactions per
+        unit distance travelled by the neutron that leads to it being scattered (without
+        getting absorbed).
+        Unit: cm^-1
+    avg_atomic_mass:
+        Average atomic mass in [amu]. This can be approximated by the atomic number 'A'
+        of the medium that the neutron passes through. The effect of the more-anisotropic
+        scattering due to smaller atomic number can be accounted for by increasing the
+        diffusion coefficient (which decreases the transport macroscopic cross-section,
+        :math:`\Sigma_{tr}=\frac{1}{3D}`).
+
+    Returns
+    -------
+    :
+        The diffusion coefficient as given by Reactor Analysis, Duderstadt and Hamilton.
+        unit: [cm]
+    """
+
+    transport_xs = total_xs - 2 / (3 * avg_atomic_mass) * scattering_xs
+    return 1 / 3 / transport_xs
+
+
+def extrapolation_length(diffusion_coefficient: float) -> float:
+    """Get the extrapolation length of the final medium :math:`\\delta`.
+
+    Notes
+    -----
+    Diffusion theory breaks down at the vacuum boundary, where once the neutron exits,
+    it will travel indefinitely into free space, never to return. To counteract this
+    problem, we can approximate the neutron profile quite closely by assuming that the
+    flux goes to 0 at an extended boundary, rather than at the vacuum boundary.
+    THis yields a very close approximation. All of this equation is provided by
+    Duderstadt and Hamilton.
+    """
+    return 0.7104 * 3 * diffusion_coefficient
+
+
+def calculate_average_macro_xs(
+    composition: dict[str, float],
+    micro_xs: dict[str, float | npt.NDArray[np.float64]],
+    density: float,
+) -> float | npt.NDArray[np.float64]:
+    r"""
+    Calculate the macroscopic cross-section for a specific energy group and a specific
+    reaction (a scalar value), when given the microscopic cross-section values of its
+    components and its density.
+
+    Parameters
+    ----------
+    composition:
+        Fraction of each species of atoms of the medium. Does not have to be normalised.
+        Given in the format {'species': float(fraction)}.
+    micro_xs:
+        A dictionary of each species, and their microscopic cross-sections, given in
+        [barns].
+        Given in the format {'species': float(microscopic cross-section)}.
+    density:
+        Density of the medium, given in [g/cm^3]
+
+    Notes
+    -----
+    .. math::
+        \Sigma &= N_d\sigma
+        &= \frac{N_A}{A} \rho \sigma
+    """
+
+    total_fraction = sum(composition.values())
+    weighted_micro_xs, weighted_atomic_mass = [], []
+    if composition.keys() != micro_xs.keys():
+        raise KeyError(
+            "The two dictionaries 'composition' and 'micro_xs' must have matching keys."
+        )
+    for species, fraction in composition.items():
+        normalized_fraction = fraction / total_fraction
+        weighted_atomic_mass.append(normalized_fraction * extract_atomic_mass(species))
+        weighted_micro_xs.append(normalized_fraction * micro_xs[species])
+    avg_sigma = np.sum(weighted_micro_xs, axis=0)
+    avg_mass_amu = sum(weighted_atomic_mass)
+    return (BARNS_CM2 * N_A) / avg_mass_amu * avg_sigma * density  # N_A/A * rho * sigma
+
+
+def discretize_xs(
+    continuous_xs, group_structure: list[float]
+) -> npt.NDArray[np.float64]:
+    """
+    Discretise a continuous cross-section function into a group structure of n discrete
+    flaots.
+
+    Parameters
+    ----------
+    continuous_xs:
+        continuous cross-section function to be discretized.
+    group_structure:
+        group structure of neutron energies, the n+1 energy bin boundaries for the n
+        neutron groups, in descending energies.
+
+    Returns
+    -------
+    :
+        microscopic cross-section values discretized according to the group structure.
+    """
+    return
+
+
+def scattering_weight_matrix(
+    group_structure: list[float], atomic_mass: float
+) -> npt.NDArray:
+    """
+    Parameters
+    ----------
+    group_structure:
+        the n+1 energy bin boundaries for the n neutron groups, in descending energies.
+    atomic_mass:
+        atomic mass of the medium
+
+    Returns
+    -------
+    :
+        A lower triangular matrix, where the i-th row contains the normalized weights for
+        scattering down from the i-th bin to the j-th bin. The main-diagonal contains
+        the self-scattering cross-section.
+        e.g. [2,1] would be the fraction of elastic scattering reactions that causes
+        neutrons from group 3 to scatter into group 2.
+        The upper triangle must be all zeros.
+        np.sum(axis=1) == np.ones(len(group_structure)-1).
+    """
+    return
+
+
+def get_material_nuclear_data(
+    material: str, group_structure: list[float]
+) -> tuple[npt.NDArray[np.float64], npt.NDArray]:
+    """
+    The constants that is directly used.
+
+    Parameters
+    ----------
+    materials:
+        Which material that we want to get the data out of.
+    group_structure:
+        the n+1 energy bin boundaries for the n neutron groups, in descending energies.
+
+    Returns
+    -------
+    discrete_macro_total_xs:
+        All group-wise total cross-sections, given in ascending order.
+    macroscopic scattering cross-section matrix:
+        A lower-triangular matrix of total scattering cross-sections,
+        e.g. [2,1] would be the scattering cross-section from neutron group 3 to group 2.
+        The upper triangle MUST be zeros.
+    avg_atomic_mass:
+        average atomic mass, used for further calcuations
+
+    Notes
+    -----
+    When calculating the group-wise diffusion coefficients, the i-th group's scattering
+    cross-section :math:`\\Sigma_{s}` is the i-th element on the main diagonal of the
+    macroscopic scattering cross-section matrix.
+    """
+    density = material_density_data_bank[material]
+    composition = material_composition_data_bank[material]
+    avg_atomic_mass = get_avg_atomic_mass(composition)
+
+    micro_total_xs, micro_scattering_xs = {}  # [str, 1D numpy array]
+    for species in composition:
+        total_xs_continuous, elastic_scattering_xs_continuous = xs_data_bank[species]
+        micro_total_xs[species] = discretize_xs(total_xs_continuous, group_structure)
+        micro_scattering_xs[species] = discretize_xs(
+            elastic_scattering_xs_continuous, group_structure
+        )
+
+    discrete_macro_total_xs = calculate_average_macro_xs(
+        composition, micro_total_xs, density
+    )
+    discrete_macro_scattering_xs = calculate_average_macro_xs(
+        composition, micro_scattering_xs, density
+    )
+    discrete_macro_scattering_xs_matrix = (
+        scattering_weight_matrix(group_structure, avg_atomic_mass).T
+        * discrete_macro_scattering_xs
+    ).T
+
+    return discrete_macro_total_xs, discrete_macro_scattering_xs_matrix, avg_atomic_mass
+
+
+class NeutronFluxProfile:
+    """Neutron flux in the first wall or the blanket."""
+
+    def __init__(self, fw_mat, x_fw, bz_mat, x_bz, n_groups: int = 1):
+        """
+        Parameters
+        ----------
+        fw_mat:
+            first wall material
+        x_fw:
+            thickness of the first wall [m]. It will be converted and stored in [cm].
+        bz_mat:
+            blanket material
+        x_bz:
+            thickness of the blanket [m]. It will be converted and stored in [cm].
+        n_groups:
+            number of groups used to approximate this.
+        """
+        if not (0 < x_fw < x_bz):
+            raise ValueError(
+                f"Cannot construct a first-wall+blanket module where{x_fw=}, {x_bz=}."
+            )
+        self.fw_mat = fw_mat
+        self.x_fw = x_fw * 100
+        self.bz_mat = bz_mat
+        self.x_bz = x_bz * 100
+        self.n_groups = n_groups
+
+        self.fw_sigma_t, self.fw_sigma_s, self.fw_A = get_material_nuclear_data(
+            self.fw_mat, n_groups
+        )
+        self.bz_sigma_t, self.bz_sigma_s, self.bz_A = get_material_nuclear_data(
+            self.bz_mat, n_groups
+        )
+        # Dictionaries indexed by integers, so that we don't have to worry about ordering
+        self.integration_constants = {}
+        self.extended_boundary = {}
+
+    def solve_one_group(self):
+        i = 0
+        if i in self.integration_constants:
+            return  # skip if it has already been solved.
+        c1 = ...
+        c2 = ...
+        c3 = ...
+        c4 = ...
+        d_bz = get_diffusion_coefficient(
+            self.bz_sigma_t[i],
+            self.bz_sigma_s[i, i],
+            self.bz_A,
+        )
+        self.extended_boundary[i] = self.x_bz + extrapolation_length(d_bz)
+        self.integration_constants[i] = [c1, c2, c3, c4]
+
+    def solve_group_n(self, n: int):
+        if n not in range(1, self.n_groups):
+            raise ValueError(
+                f"n must be a positive integer between 1 and {self.n_groups}!"
+            )
+        for k in range(1, n):
+            if k not in self.integration_constants:
+                self.solve_group_n(k)
+        if n == 1:
+            self.solve_one_group()
+        i = n - 1
+        if i in self.integration_constants:
+            return  # skip if it has already been solved.
+        c1 = ...
+        c2 = ...
+        c3 = ...
+        c4 = ...
+        d_bz = get_diffusion_coefficient(
+            self.bz_sigma_t[i],
+            self.bz_sigma_s[i, i],
+            self.bz_A,
+        )
+        self.extended_boundary[i] = self.x_bz + extrapolation_length(d_bz)
+        self.integration_constants[i] = [c1, c2, c3, c4]
+
+    @groupwise
+    def neutron_flux_fw(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
+        """Neutron flux at the first wall."""
+
+        return
+
+    @groupwise
+    def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
+        """Neutron flux at the blanket."""
+
+        return
+
+    @groupwise
+    def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
+        """
+        Neutron flux
+        Parameters
+        ----------
+        n:
+            Neutron group number
+        x:
+            The depth where we want the neutron flux (m).
+        """
+        if np.isscalar(x):
+            return self.groupwise_neutron_flux_at(n, [x])[0]
+        x = np.asarray(x)
+        in_fw = x <= self.x_fw
+        in_bz = np.logical_and(self.x_fw < x, x <= self.x_bz)
+        if (~np.logical_or(in_fw, in_bz)).any():
+            raise ValueError(
+                f"for neutron group {n}, neutron flux can only be calculated up to "
+                f"{self.extended_boundary[n]}, which {x} violates!"
+            )
+
+        out_flux = np.zeros_like(x)
+        out_flux[in_fw] = self.groupwise_neutron_flux_fw(x[in_fw])
+        out_flux[in_bz] = self.groupwise_neutron_flux_bz(x[in_bz])
+        return out_flux

From 99d62d2d79ad09afe16c4df5684884b1be0b8b06 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sat, 3 May 2025 02:35:02 +0100
Subject: [PATCH 02/98] Added the effect of neutron multiplication, which is
 done by increasing the strength of the macroscopic (self and other)
 scattering matrix.

---
 process/neutronics.py | 174 ++++++++++++++++++++++++++++++++----------
 ruff.toml             |   2 +
 2 files changed, 137 insertions(+), 39 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 36c191e695..8c253d8a44 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -6,16 +6,18 @@
 import functools
 
 import numpy as np
+from continuous_functions import ZeroContinuousFunc
 from numpy import testing as npt
 from scipy.constants import Avogadro
 from to_be_built_later import extract_atomic_mass, get_avg_atomic_mass
 
 BARNS_CM2 = 1e-24
 N_A = Avogadro
-
+N2N_Q_VALUE = ...
 material_density_data_bank = ...
 material_composition_data_bank = ...
 xs_data_bank = ...
+breeding_xs_data_bank = ...
 
 
 def groupwise(func):
@@ -29,7 +31,10 @@ def groupwise(func):
     def wrapper(self, *args, **kwargs):
         groupwise_func = getattr(self, groupwise_name)
         return np.sum(
-            [groupwise_func(n, *args, **kwargs) for n in range(1, self.n_groups + 1)],
+            [
+                groupwise_func(n, *args, **kwargs)
+                for n in range(1, self.n_groups + 1)
+            ],
             axis=0,
         )
 
@@ -57,9 +62,9 @@ def __set_name__(self, owner, name):
         self.installer(owner)
 
 
-def get_diffusion_coefficient(
+def get_diffusion_coefficient_and_length(
     total_xs: float, scattering_xs: float, avg_atomic_mass: float
-) -> float:
+) -> tuple[float, np.complex128]:
     r"""
     Calculate the diffusion coefficient for a given scattering and total macro-scopic
     cross-section in a given medium.
@@ -85,13 +90,21 @@ def get_diffusion_coefficient(
 
     Returns
     -------
-    :
+    diffusion_coef:
         The diffusion coefficient as given by Reactor Analysis, Duderstadt and Hamilton.
         unit: [cm]
+    diffusion_len:
+        The characteristic diffusion length as given by Reactor Analysis, Duderstadt and
+        Hamilton.
+        unit: [cm]
     """
 
     transport_xs = total_xs - 2 / (3 * avg_atomic_mass) * scattering_xs
-    return 1 / 3 / transport_xs
+    diffusion_coef = 1 / 3 / transport_xs
+    diffusion_len = np.sqrt(
+        complex(diffusion_coef / (total_xs - scattering_xs), 0.0)
+    )
+    return diffusion_coef, diffusion_len
 
 
 def extrapolation_length(diffusion_coefficient: float) -> float:
@@ -146,11 +159,15 @@ def calculate_average_macro_xs(
         )
     for species, fraction in composition.items():
         normalized_fraction = fraction / total_fraction
-        weighted_atomic_mass.append(normalized_fraction * extract_atomic_mass(species))
+        weighted_atomic_mass.append(
+            normalized_fraction * extract_atomic_mass(species)
+        )
         weighted_micro_xs.append(normalized_fraction * micro_xs[species])
     avg_sigma = np.sum(weighted_micro_xs, axis=0)
     avg_mass_amu = sum(weighted_atomic_mass)
-    return (BARNS_CM2 * N_A) / avg_mass_amu * avg_sigma * density  # N_A/A * rho * sigma
+    return (
+        (BARNS_CM2 * N_A) / avg_mass_amu * avg_sigma * density
+    )  # N_A/A * rho * sigma
 
 
 def discretize_xs(
@@ -201,6 +218,30 @@ def scattering_weight_matrix(
     return
 
 
+def expand_macro_neutron_multiplication_xs_into_matrix(
+    discrete_n2n_xs: npt.NDArray[np.float64],
+    group_structure: list[float],
+    q_value: float,
+) -> npt.NDArray:
+    """Instead of only having the macroscopic cross-section values for the (n,2n)
+    reaction for each group, calculate the macroscopic cross-section of neutron in the
+    [i]-th bin producing a neutron in the [j]-bin, recorded as the [i,j] element in the
+    matrix.
+
+    Returns
+    -------
+    :
+        A macroscopic neutron multiplication cross-section matrix, such that each row
+        should sum to = 2 * discrete_n2n_xs (since two neutrons should be produced per
+        neutron consumed in the (n,2n) reaction).
+
+    Notes
+    -----
+    This is a three body problem. TODO: further investigation is needed to figure out
+    how to distribute the two outputted neutron's energies!
+    """
+
+
 def get_material_nuclear_data(
     material: str, group_structure: list[float]
 ) -> tuple[npt.NDArray[np.float64], npt.NDArray]:
@@ -235,13 +276,26 @@ def get_material_nuclear_data(
     composition = material_composition_data_bank[material]
     avg_atomic_mass = get_avg_atomic_mass(composition)
 
-    micro_total_xs, micro_scattering_xs = {}  # [str, 1D numpy array]
+    # dicts of {"isotope": npt.NDArray[np.float64] 1D arrays}
+    micro_total_xs = {}
+    micro_scattering_xs = {}
+    micro_n2n_xs = {}
     for species in composition:
-        total_xs_continuous, elastic_scattering_xs_continuous = xs_data_bank[species]
-        micro_total_xs[species] = discretize_xs(total_xs_continuous, group_structure)
+        total_xs_continuous, elastic_scattering_xs_continuous = xs_data_bank[
+            species
+        ]
+        n2n_xs_continuous = breeding_xs_data_bank.get(
+            species, ZeroContinuousFunc
+        )
+        micro_total_xs[species] = discretize_xs(
+            total_xs_continuous, group_structure
+        )
         micro_scattering_xs[species] = discretize_xs(
             elastic_scattering_xs_continuous, group_structure
         )
+        micro_n2n_xs[species] = discretize_xs(
+            n2n_xs_continuous, group_structure
+        )
 
     discrete_macro_total_xs = calculate_average_macro_xs(
         composition, micro_total_xs, density
@@ -253,17 +307,41 @@ def get_material_nuclear_data(
         scattering_weight_matrix(group_structure, avg_atomic_mass).T
         * discrete_macro_scattering_xs
     ).T
+    discrete_n2n_xs = calculate_average_macro_xs(
+        composition, micro_n2n_xs, density
+    )
+    discrete_macro_mult_xs_matrix = (
+        expand_macro_neutron_multiplication_xs_into_matrix(
+            discrete_n2n_xs, group_structure, N2N_Q_VALUE
+        )
+    )
+    source_matrix = (
+        discrete_macro_scattering_xs_matrix + discrete_macro_mult_xs_matrix
+    )
 
-    return discrete_macro_total_xs, discrete_macro_scattering_xs_matrix, avg_atomic_mass
+    return discrete_macro_total_xs, source_matrix, avg_atomic_mass
 
 
 class NeutronFluxProfile:
     """Neutron flux in the first wall or the blanket."""
 
-    def __init__(self, fw_mat, x_fw, bz_mat, x_bz, n_groups: int = 1):
-        """
+    def __init__(
+        self,
+        flux: float,
+        fw_mat: str,
+        x_fw: float,
+        bz_mat: str,
+        x_bz: float,
+        n_groups: int = 1,
+    ):
+        """Initialize a particular FW-BZ geometry and neutron flux.
+
         Parameters
         ----------
+        flux:
+            Nuetron flux directly emitted by the plasma, incident on the first wall.
+            unit: arbitrary, but whichever unit used here will be the same unit used at
+            the output neutron_flux.
         fw_mat:
             first wall material
         x_fw:
@@ -275,6 +353,7 @@ def __init__(self, fw_mat, x_fw, bz_mat, x_bz, n_groups: int = 1):
         n_groups:
             number of groups used to approximate this.
         """
+        self.flux = flux
         if not (0 < x_fw < x_bz):
             raise ValueError(
                 f"Cannot construct a first-wall+blanket module where{x_fw=}, {x_bz=}."
@@ -285,25 +364,31 @@ def __init__(self, fw_mat, x_fw, bz_mat, x_bz, n_groups: int = 1):
         self.x_bz = x_bz * 100
         self.n_groups = n_groups
 
-        self.fw_sigma_t, self.fw_sigma_s, self.fw_A = get_material_nuclear_data(
-            self.fw_mat, n_groups
+        self.fw_sigma_t, self.fw_sigma_s, self.fw_A = (
+            get_material_nuclear_data(self.fw_mat, n_groups)
         )
-        self.bz_sigma_t, self.bz_sigma_s, self.bz_A = get_material_nuclear_data(
-            self.bz_mat, n_groups
+        self.bz_sigma_t, self.bz_sigma_s, self.bz_A = (
+            get_material_nuclear_data(self.bz_mat, n_groups)
         )
         # Dictionaries indexed by integers, so that we don't have to worry about ordering
         self.integration_constants = {}
         self.extended_boundary = {}
+        self.l_fw, self.l_bz = {}, {}
 
-    def solve_one_group(self):
+    def solve_one_group(self) -> None:
         i = 0
         if i in self.integration_constants:
             return  # skip if it has already been solved.
-        c1 = ...
-        c2 = ...
-        c3 = ...
-        c4 = ...
-        d_bz = get_diffusion_coefficient(
+        c1 = self.flux * ...
+        c2 = self.flux * ...
+        c3 = self.flux * ...
+        c4 = self.flux * ...
+        self.l_fw[i], d_fw = get_diffusion_coefficient_and_length(
+            self.fw_sigma_t[i],
+            self.fw_sigma_s[i, i],
+            self.fw_A,
+        )
+        self.l_bz[i], d_bz = get_diffusion_coefficient_and_length(
             self.bz_sigma_t[i],
             self.bz_sigma_s[i, i],
             self.bz_A,
@@ -311,24 +396,29 @@ def solve_one_group(self):
         self.extended_boundary[i] = self.x_bz + extrapolation_length(d_bz)
         self.integration_constants[i] = [c1, c2, c3, c4]
 
-    def solve_group_n(self, n: int):
+    def solve_group_n(self, n: int) -> None:
         if n not in range(1, self.n_groups):
             raise ValueError(
                 f"n must be a positive integer between 1 and {self.n_groups}!"
             )
-        for k in range(1, n):
-            if k not in self.integration_constants:
-                self.solve_group_n(k)
         if n == 1:
             self.solve_one_group()
+        for k in range(n - 1):
+            if k not in self.integration_constants:
+                self.solve_group_n(k)
         i = n - 1
         if i in self.integration_constants:
             return  # skip if it has already been solved.
-        c1 = ...
-        c2 = ...
-        c3 = ...
-        c4 = ...
-        d_bz = get_diffusion_coefficient(
+        c1 = self.flux * ...
+        c2 = self.flux * ...
+        c3 = self.flux * ...
+        c4 = self.flux * ...
+        self.l_fw[i], d_fw = get_diffusion_coefficient_and_length(
+            self.fw_sigma_t[i],
+            self.fw_sigma_s[i, i],
+            self.fw_A,
+        )
+        self.l_bz[i], d_bz = get_diffusion_coefficient_and_length(
             self.bz_sigma_t[i],
             self.bz_sigma_s[i, i],
             self.bz_A,
@@ -339,14 +429,20 @@ def solve_group_n(self, n: int):
     @groupwise
     def neutron_flux_fw(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         """Neutron flux at the first wall."""
-
-        return
+        i = n - 1
+        c1, c2 = self.integration_constants[i][:2]
+        return np.real(
+            c1 * np.sinh(x / self.l_fw[i]) + c2 * np.cosh(x / self.l_fw[i])
+        )
 
     @groupwise
     def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         """Neutron flux at the blanket."""
-
-        return
+        i = n - 1
+        c3, c4 = self.integration_constants[i][2:]
+        return np.real(
+            c3 * np.sinh(x / self.l_bz[i]) + c4 * np.cosh(x / self.l_bz[i])
+        )
 
     @groupwise
     def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
@@ -362,8 +458,8 @@ def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
         x = np.asarray(x)
-        in_fw = x <= self.x_fw
-        in_bz = np.logical_and(self.x_fw < x, x <= self.x_bz)
+        in_fw = abs(x) <= self.x_fw
+        in_bz = np.logical_and(self.x_fw < abs(x), abs(x) <= self.x_bz)
         if (~np.logical_or(in_fw, in_bz)).any():
             raise ValueError(
                 f"for neutron group {n}, neutron flux can only be calculated up to "
diff --git a/ruff.toml b/ruff.toml
index 9db7a11a87..2a43213ee2 100644
--- a/ruff.toml
+++ b/ruff.toml
@@ -1,5 +1,7 @@
 extend-exclude = ["env", ".env"]
 target-version = "py310"
+output-format= "concise"
+line-length = 79
 
 [lint]
 extend-select = [

From d4204cf093f3c7ca6c0eb61f5b11b49c15884198 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sat, 3 May 2025 03:52:16 +0100
Subject: [PATCH 03/98] relocated some functions

---
 process/neutronics.py      | 16 ++++++++++------
 process/neutronics_data.py | 27 +++++++++++++++++++++++++++
 2 files changed, 37 insertions(+), 6 deletions(-)
 create mode 100644 process/neutronics_data.py

diff --git a/process/neutronics.py b/process/neutronics.py
index 8c253d8a44..1c03512980 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -6,18 +6,20 @@
 import functools
 
 import numpy as np
-from continuous_functions import ZeroContinuousFunc
 from numpy import testing as npt
 from scipy.constants import Avogadro
-from to_be_built_later import extract_atomic_mass, get_avg_atomic_mass
+from neutronics_data import (ZeroContinuousFunc,
+    extract_atomic_mass,
+    get_avg_atomic_mass,
+    material_density_data_bank,
+    material_composition_data_bank,
+    xs_data_bank,
+    breeding_xs_data_bank
+)
 
 BARNS_CM2 = 1e-24
 N_A = Avogadro
 N2N_Q_VALUE = ...
-material_density_data_bank = ...
-material_composition_data_bank = ...
-xs_data_bank = ...
-breeding_xs_data_bank = ...
 
 
 def groupwise(func):
@@ -313,6 +315,8 @@ def get_material_nuclear_data(
     discrete_macro_mult_xs_matrix = (
         expand_macro_neutron_multiplication_xs_into_matrix(
             discrete_n2n_xs, group_structure, N2N_Q_VALUE
+            # TODO: need to restructure this as we may have more than one types of (n,2n)
+            # reactions, requiring different values of N2N_Q_VALUE.
         )
     )
     source_matrix = (
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
new file mode 100644
index 0000000000..ac8b6f78f0
--- /dev/null
+++ b/process/neutronics_data.py
@@ -0,0 +1,27 @@
+import numpy as np
+
+class ZeroContinuousFunc:
+    """A dummy class that returns 0 whenever called."""
+    def __call__(self, x):
+        """Return 0 for al cases."""
+        if np.isscalar(x):
+            return 0.0
+        return np.zeros_like(x)
+
+def get_avg_atomic_mass(composition: dict[str, float]) -> float:
+    """Calculate the average atomic mass number.
+    Parameters
+    ----------
+    composition:
+        a dictionary showing the fraction that each species makes up.
+    """
+    total_fraction = sum(composition.values())
+    return sum(extract_atomic_mass(species) * fraction / total_fraction for species, fraction in composition.items())
+
+def extract_atomic_mass(str) -> float:
+    return
+
+material_density_data_bank = ...
+material_composition_data_bank = ...
+xs_data_bank = ...
+breeding_xs_data_bank = ...
\ No newline at end of file

From d44f11706d02bd3e9f1613d2b4f8a80686f22b48 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sat, 3 May 2025 03:54:06 +0100
Subject: [PATCH 04/98] Ruff improvements.

---
 process/neutronics.py      | 15 +++++++++------
 process/neutronics_data.py | 14 +++++++++++---
 2 files changed, 20 insertions(+), 9 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 1c03512980..5d4d8fb72b 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -6,16 +6,17 @@
 import functools
 
 import numpy as np
-from numpy import testing as npt
-from scipy.constants import Avogadro
-from neutronics_data import (ZeroContinuousFunc,
+from neutronics_data import (
+    ZeroContinuousFunc,
+    breeding_xs_data_bank,
     extract_atomic_mass,
     get_avg_atomic_mass,
-    material_density_data_bank,
     material_composition_data_bank,
+    material_density_data_bank,
     xs_data_bank,
-    breeding_xs_data_bank
 )
+from numpy import testing as npt
+from scipy.constants import Avogadro
 
 BARNS_CM2 = 1e-24
 N_A = Avogadro
@@ -314,7 +315,9 @@ def get_material_nuclear_data(
     )
     discrete_macro_mult_xs_matrix = (
         expand_macro_neutron_multiplication_xs_into_matrix(
-            discrete_n2n_xs, group_structure, N2N_Q_VALUE
+            discrete_n2n_xs,
+            group_structure,
+            N2N_Q_VALUE,
             # TODO: need to restructure this as we may have more than one types of (n,2n)
             # reactions, requiring different values of N2N_Q_VALUE.
         )
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index ac8b6f78f0..a0a188d049 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -1,13 +1,16 @@
 import numpy as np
 
+
 class ZeroContinuousFunc:
     """A dummy class that returns 0 whenever called."""
+
     def __call__(self, x):
         """Return 0 for al cases."""
         if np.isscalar(x):
             return 0.0
         return np.zeros_like(x)
 
+
 def get_avg_atomic_mass(composition: dict[str, float]) -> float:
     """Calculate the average atomic mass number.
     Parameters
@@ -16,12 +19,17 @@ def get_avg_atomic_mass(composition: dict[str, float]) -> float:
         a dictionary showing the fraction that each species makes up.
     """
     total_fraction = sum(composition.values())
-    return sum(extract_atomic_mass(species) * fraction / total_fraction for species, fraction in composition.items())
+    return sum(
+        extract_atomic_mass(species) * fraction / total_fraction
+        for species, fraction in composition.items()
+    )
 
-def extract_atomic_mass(str) -> float:
+
+def extract_atomic_mass(species: str) -> float:
     return
 
+
 material_density_data_bank = ...
 material_composition_data_bank = ...
 xs_data_bank = ...
-breeding_xs_data_bank = ...
\ No newline at end of file
+breeding_xs_data_bank = ...

From f68533bafcd64bff01ccadc18adfaa54fb675898 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sat, 3 May 2025 16:13:07 +0100
Subject: [PATCH 05/98] Decided to implement a switch case for
 sinh(x/sqrt(-...))=-sin(x/sqrt(...)), instead of using complex number to
 cover both +ve and -ve sign in the sqrt.

---
 process/neutronics.py | 38 +++++++++++++++++++-------------------
 1 file changed, 19 insertions(+), 19 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 5d4d8fb72b..f8e2e2b8e5 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -67,7 +67,7 @@ def __set_name__(self, owner, name):
 
 def get_diffusion_coefficient_and_length(
     total_xs: float, scattering_xs: float, avg_atomic_mass: float
-) -> tuple[float, np.complex128]:
+) -> tuple[float, float]:
     r"""
     Calculate the diffusion coefficient for a given scattering and total macro-scopic
     cross-section in a given medium.
@@ -96,18 +96,16 @@ def get_diffusion_coefficient_and_length(
     diffusion_coef:
         The diffusion coefficient as given by Reactor Analysis, Duderstadt and Hamilton.
         unit: [cm]
-    diffusion_len:
-        The characteristic diffusion length as given by Reactor Analysis, Duderstadt and
-        Hamilton.
+    diffusion_len_2:
+        The square of the characteristic diffusion length as given by Reactor Analysis,
+        Duderstadt and Hamilton.
         unit: [cm]
     """
 
     transport_xs = total_xs - 2 / (3 * avg_atomic_mass) * scattering_xs
     diffusion_coef = 1 / 3 / transport_xs
-    diffusion_len = np.sqrt(
-        complex(diffusion_coef / (total_xs - scattering_xs), 0.0)
-    )
-    return diffusion_coef, diffusion_len
+    diffusion_len_2 = diffusion_coef / (total_xs - scattering_xs)
+    return diffusion_coef, diffusion_len_2
 
 
 def extrapolation_length(diffusion_coefficient: float) -> float:
@@ -380,7 +378,7 @@ def __init__(
         # Dictionaries indexed by integers, so that we don't have to worry about ordering
         self.integration_constants = {}
         self.extended_boundary = {}
-        self.l_fw, self.l_bz = {}, {}
+        self.l_fw_2, self.l_bz_2 = {}, {}
 
     def solve_one_group(self) -> None:
         i = 0
@@ -390,12 +388,12 @@ def solve_one_group(self) -> None:
         c2 = self.flux * ...
         c3 = self.flux * ...
         c4 = self.flux * ...
-        self.l_fw[i], d_fw = get_diffusion_coefficient_and_length(
+        self.l_fw_2[i], d_fw = get_diffusion_coefficient_and_length(
             self.fw_sigma_t[i],
             self.fw_sigma_s[i, i],
             self.fw_A,
         )
-        self.l_bz[i], d_bz = get_diffusion_coefficient_and_length(
+        self.l_bz_2[i], d_bz = get_diffusion_coefficient_and_length(
             self.bz_sigma_t[i],
             self.bz_sigma_s[i, i],
             self.bz_A,
@@ -420,12 +418,12 @@ def solve_group_n(self, n: int) -> None:
         c2 = self.flux * ...
         c3 = self.flux * ...
         c4 = self.flux * ...
-        self.l_fw[i], d_fw = get_diffusion_coefficient_and_length(
+        self.l_fw_2[i], d_fw = get_diffusion_coefficient_and_length(
             self.fw_sigma_t[i],
             self.fw_sigma_s[i, i],
             self.fw_A,
         )
-        self.l_bz[i], d_bz = get_diffusion_coefficient_and_length(
+        self.l_bz_2[i], d_bz = get_diffusion_coefficient_and_length(
             self.bz_sigma_t[i],
             self.bz_sigma_s[i, i],
             self.bz_A,
@@ -438,18 +436,20 @@ def neutron_flux_fw(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         """Neutron flux at the first wall."""
         i = n - 1
         c1, c2 = self.integration_constants[i][:2]
-        return np.real(
-            c1 * np.sinh(x / self.l_fw[i]) + c2 * np.cosh(x / self.l_fw[i])
-        )
+        l_fw = np.sqrt(abs(self.l_fw_2[i]))
+        if self.l_fw_2 < 0:
+            return c1 * -np.sin(x / l_fw) + c2 * np.cos(x / l_fw)
+        return c1 * np.sinh(x / l_fw) + c2 * np.cosh(x / l_fw)
 
     @groupwise
     def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         """Neutron flux at the blanket."""
         i = n - 1
         c3, c4 = self.integration_constants[i][2:]
-        return np.real(
-            c3 * np.sinh(x / self.l_bz[i]) + c4 * np.cosh(x / self.l_bz[i])
-        )
+        l_bz = np.sqrt(abs(self.l_bz_2[i]))
+        if self.l_bz_2 < 0:
+            return c3 * -np.sin(x / l_bz) + c4 * np.cos(x / l_bz)
+        return c3 * np.sinh(x / l_bz) + c4 * np.cosh(x / l_bz)
 
     @groupwise
     def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:

From 555e625ceb2b3802f59211ad9a580f693b57a5c7 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 9 May 2025 10:47:46 +0100
Subject: [PATCH 06/98] Some further progress on docstrings and equations.

---
 process/neutronics.py | 88 +++++++++++++++++++++++++++++++++++--------
 1 file changed, 72 insertions(+), 16 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index f8e2e2b8e5..03674c22dd 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -381,13 +381,14 @@ def __init__(
         self.l_fw_2, self.l_bz_2 = {}, {}
 
     def solve_one_group(self) -> None:
+        """
+        Solve the first-group's neutron diffusion equation.
+        Store the solved constants in self.extended_boundary[0], self.l_fw_2[0],
+        self.l_bz_2[0], and self.integration_constants[0].
+        """
         i = 0
         if i in self.integration_constants:
             return  # skip if it has already been solved.
-        c1 = self.flux * ...
-        c2 = self.flux * ...
-        c3 = self.flux * ...
-        c4 = self.flux * ...
         self.l_fw_2[i], d_fw = get_diffusion_coefficient_and_length(
             self.fw_sigma_t[i],
             self.fw_sigma_s[i, i],
@@ -398,10 +399,29 @@ def solve_one_group(self) -> None:
             self.bz_sigma_s[i, i],
             self.bz_A,
         )
+        l_fw = np.sqrt(abs(self.l_fw_2))
+        l_bz = np.sqrt(abs(self.l_bz_2))
+        c1 = self.flux * ... * l_fw
+        c2 = self.flux * ... * l_bz
+        c3 = self.flux * ...
+        c4 = self.flux * ...
         self.extended_boundary[i] = self.x_bz + extrapolation_length(d_bz)
         self.integration_constants[i] = [c1, c2, c3, c4]
 
     def solve_group_n(self, n: int) -> None:
+        """
+        Solve the n-th group of neutron's diffusion equation.
+        Store the solved constants in self.extended_boundary[n-1], self.l_fw_2[n-1],
+        self.l_bz_2[n-1], and self.integration_constants[n-1].
+
+        Parameters
+        ----------
+        n:
+            The index of the neutron group whose constants are being solved.
+            allowed range: [1, self.n_groups]
+            This gets translated to the index i=n-1 used for the dictionaries of
+            constants attached to self.
+        """
         if n not in range(1, self.n_groups):
             raise ValueError(
                 f"n must be a positive integer between 1 and {self.n_groups}!"
@@ -414,10 +434,6 @@ def solve_group_n(self, n: int) -> None:
         i = n - 1
         if i in self.integration_constants:
             return  # skip if it has already been solved.
-        c1 = self.flux * ...
-        c2 = self.flux * ...
-        c3 = self.flux * ...
-        c4 = self.flux * ...
         self.l_fw_2[i], d_fw = get_diffusion_coefficient_and_length(
             self.fw_sigma_t[i],
             self.fw_sigma_s[i, i],
@@ -428,28 +444,67 @@ def solve_group_n(self, n: int) -> None:
             self.bz_sigma_s[i, i],
             self.bz_A,
         )
+        l_fw = np.sqrt(abs(self.l_fw_2))
+        l_bz = np.sqrt(abs(self.l_bz_2))
+        c1 = self.flux * ... * l_fw
+        c2 = self.flux * ... * l_bz
+        c3 = self.flux * ...
+        c4 = self.flux * ...
         self.extended_boundary[i] = self.x_bz + extrapolation_length(d_bz)
         self.integration_constants[i] = [c1, c2, c3, c4]
 
     @groupwise
     def neutron_flux_fw(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
-        """Neutron flux at the first wall."""
+        """Neutron flux at the first wall.
+
+        Parameters
+        ----------
+        n:
+            The index of the neutron group whose flux is being evaluated.
+        x:
+            The position where the neutron flux has to be evaluated.
+            Note that this function does not enforce a check for x=inside the first-wall,
+            thus if x is outside the first-wall, an extrapolated first-wall flux value up
+            to that point will be given, this flux is still guaranteed to be non-singular
+            i.e. finite, but not guaranteed to be positive.
+        """
         i = n - 1
         c1, c2 = self.integration_constants[i][:2]
         l_fw = np.sqrt(abs(self.l_fw_2[i]))
-        if self.l_fw_2 < 0:
-            return c1 * -np.sin(x / l_fw) + c2 * np.cos(x / l_fw)
-        return c1 * np.sinh(x / l_fw) + c2 * np.cosh(x / l_fw)
+        x_l_fw = abs(x) / l_fw
+        sinh, cosh = (
+            (np.sinh, np.cosh) if self.l_fw_2 > 0 else (np.sin, np.cos)
+        )
+        # we specially store c1 and c2 such that if l_fw_2 is imaginary, then a different
+        # then c1 * sin and c2 * cos becomes real again.
+        return c1 * sinh(x_l_fw) + c2 * cosh(x_l_fw)
 
     @groupwise
     def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
-        """Neutron flux at the blanket."""
+        """
+        Neutron flux at the blanket.
+
+        Parameters
+        ----------
+        n:
+            The index of the neutron group whose flux is being evaluated.
+        x:
+            The position where the neutron flux has to be evaluated.
+            Note that this function does not enforce a check for x=inside the blanket,
+            thus if x is outside the blanket, an extrapolated blanket flux value up to
+            that point will be given, this flux is still guaranteed to be non-singular
+            i.e. finite, but not guaranteed to be positive.
+        """
         i = n - 1
         c3, c4 = self.integration_constants[i][2:]
         l_bz = np.sqrt(abs(self.l_bz_2[i]))
-        if self.l_bz_2 < 0:
-            return c3 * -np.sin(x / l_bz) + c4 * np.cos(x / l_bz)
-        return c3 * np.sinh(x / l_bz) + c4 * np.cosh(x / l_bz)
+        x_l_bz = x / abs(l_bz)
+        sinh, cosh = (
+            (np.sinh, np.cosh) if self.l_bz_2 > 0 else (np.sin, np.cos)
+        )
+        # we specially store c3 and c4 such that if l_bz_2 is imaginary, then a different
+        # then c3 * sin and c4 * cos becomes real again.
+        return c3 * sinh(x_l_bz) + c4 * cosh(x_l_bz)
 
     @groupwise
     def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
@@ -461,6 +516,7 @@ def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
             Neutron group number
         x:
             The depth where we want the neutron flux (m).
+            Valid only between x= -extended boundary to +-extended boundary of that group
         """
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]

From 390c38a526d85926d62816a08bc69beb279d0197 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 4 Jun 2025 16:44:57 +0100
Subject: [PATCH 07/98] WIP - pushing to save progress.

---
 process/neutronics.py | 33 ++++++++++++++++++---------------
 1 file changed, 18 insertions(+), 15 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 03674c22dd..81cdd1da15 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -229,6 +229,16 @@ def expand_macro_neutron_multiplication_xs_into_matrix(
     [i]-th bin producing a neutron in the [j]-bin, recorded as the [i,j] element in the
     matrix.
 
+    Parameters
+    ----------
+    discrete_n2n_xs:
+        The group-wise macroscopic cross-section for the n2n reaction.
+        A 1D numpy array, with len==number of neutron groups.
+    group_structure:
+        The n+1 energy bin boundaries for the n neutron groups, in descending energies.
+    q_value:
+        The difference in q-value.
+
     Returns
     -------
     :
@@ -245,7 +255,7 @@ def expand_macro_neutron_multiplication_xs_into_matrix(
 
 def get_material_nuclear_data(
     material: str, group_structure: list[float]
-) -> tuple[npt.NDArray[np.float64], npt.NDArray]:
+) -> tuple[npt.NDArray[np.float64], npt.NDArray, float]:
     """
     The constants that is directly used.
 
@@ -304,25 +314,18 @@ def get_material_nuclear_data(
     discrete_macro_scattering_xs = calculate_average_macro_xs(
         composition, micro_scattering_xs, density
     )
-    discrete_macro_scattering_xs_matrix = (
+    source_matrix = (
         scattering_weight_matrix(group_structure, avg_atomic_mass).T
         * discrete_macro_scattering_xs
     ).T
-    discrete_n2n_xs = calculate_average_macro_xs(
-        composition, micro_n2n_xs, density
-    )
-    discrete_macro_mult_xs_matrix = (
-        expand_macro_neutron_multiplication_xs_into_matrix(
-            discrete_n2n_xs,
+    for modified_composition_file, modified_density, q_value in n2n_susceptible_species:
+        source_matrix += expand_macro_neutron_multiplication_xs_into_matrix(
+            calculate_average_macro_xs(
+                composition, micro_n2n_xs, density
+            ),
             group_structure,
-            N2N_Q_VALUE,
-            # TODO: need to restructure this as we may have more than one types of (n,2n)
-            # reactions, requiring different values of N2N_Q_VALUE.
+            q_value,
         )
-    )
-    source_matrix = (
-        discrete_macro_scattering_xs_matrix + discrete_macro_mult_xs_matrix
-    )
 
     return discrete_macro_total_xs, source_matrix, avg_atomic_mass
 

From 83c2464f9a8102376109937f04e7cdf530b8b486 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 13 Jul 2025 20:06:42 +0100
Subject: [PATCH 08/98] Transcribed the one-group constant (manually solved and
 verified by Desmos). Next step is to write the program for solving
 multi-group fluxes.

---
 process/neutronics.py | 115 +++++++++++++++++++++++++++++-------------
 1 file changed, 80 insertions(+), 35 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 81cdd1da15..e502441337 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -318,11 +318,13 @@ def get_material_nuclear_data(
         scattering_weight_matrix(group_structure, avg_atomic_mass).T
         * discrete_macro_scattering_xs
     ).T
-    for modified_composition_file, modified_density, q_value in n2n_susceptible_species:
+    for (
+        modified_composition_file,
+        modified_density,
+        q_value,
+    ) in n2n_susceptible_species:
         source_matrix += expand_macro_neutron_multiplication_xs_into_matrix(
-            calculate_average_macro_xs(
-                composition, micro_n2n_xs, density
-            ),
+            calculate_average_macro_xs(composition, micro_n2n_xs, density),
             group_structure,
             q_value,
         )
@@ -402,13 +404,43 @@ def solve_one_group(self) -> None:
             self.bz_sigma_s[i, i],
             self.bz_A,
         )
-        l_fw = np.sqrt(abs(self.l_fw_2))
-        l_bz = np.sqrt(abs(self.l_bz_2))
-        c1 = self.flux * ... * l_fw
-        c2 = self.flux * ... * l_bz
-        c3 = self.flux * ...
-        c4 = self.flux * ...
-        self.extended_boundary[i] = self.x_bz + extrapolation_length(d_bz)
+        l_fw = np.sqrt(abs(self.l_fw_2[i]))
+        l_bz = np.sqrt(abs(self.l_bz_2[i]))
+        x_fw, x_bz = self.x_fw, self.x_bz
+        self.extended_boundary[i] = x_bz + extrapolation_length(d_bz)
+        if self.l_fw_2[i] > 0:
+            sinh_fw = np.sinh(x_fw / l_fw)
+            cosh_fw = np.cosh(x_fw / l_fw)
+            tanh_fw = np.tanh(x_fw / l_fw)
+        else:
+            sinh_fw = np.sin(x_fw / l_fw)
+            cosh_fw = np.cos(x_fw / l_fw)
+            tanh_fw = np.tan(x_fw / l_fw)
+        if self.l_bz_2[i] > 0:
+            sinh_bz = np.sinh((self.extended_boundary[i] - x_fw) / l_bz)
+            cosh_bz = np.cosh((self.extended_boundary[i] - x_fw) / l_bz)
+            tanh_bz = np.tanh((self.extended_boundary[i] - x_fw) / l_bz)
+            sinh_bz_full = np.sinh((self.extended_boundary[i]) / l_bz)
+            cosh_bz_full = np.cosh((self.extended_boundary[i]) / l_bz)
+        else:
+            sinh_bz = np.sin((self.extended_boundary[i] - x_fw) / l_bz)
+            cosh_bz = np.cos((self.extended_boundary[i] - x_fw) / l_bz)
+            tanh_bz = np.tan((self.extended_boundary[i] - x_fw) / l_bz)
+            sinh_bz_full = np.sin((self.extended_boundary[i]) / l_bz)
+            cosh_bz_full = np.cos((self.extended_boundary[i]) / l_bz)
+
+        c1 = l_fw / d_fw
+        c2 = l_fw / d_fw - np.exp(x_fw / l_fw) * (
+            (l_fw / d_fw) + (l_bz / d_bz) * tanh_bz
+        ) / (cosh_fw + sinh_fw * tanh_bz * (d_fw / l_fw) * (l_bz / d_bz))
+
+        c3_c4_common_factor = (
+            np.exp(x_fw / l_fw)
+            * (1 - tanh_fw)
+            / ((d_bz / l_bz) * cosh_bz + (d_fw / l_fw) * tanh_fw * sinh_bz)
+        )
+        c3 = c3_c4_common_factor * -cosh_bz_full
+        c4 = c3_c4_common_factor * sinh_bz_full
         self.integration_constants[i] = [c1, c2, c3, c4]
 
     def solve_group_n(self, n: int) -> None:
@@ -430,13 +462,13 @@ def solve_group_n(self, n: int) -> None:
                 f"n must be a positive integer between 1 and {self.n_groups}!"
             )
         if n == 1:
-            self.solve_one_group()
+            return self.solve_one_group()
         for k in range(n - 1):
             if k not in self.integration_constants:
                 self.solve_group_n(k)
         i = n - 1
         if i in self.integration_constants:
-            return  # skip if it has already been solved.
+            return None  # skip if it has already been solved.
         self.l_fw_2[i], d_fw = get_diffusion_coefficient_and_length(
             self.fw_sigma_t[i],
             self.fw_sigma_s[i, i],
@@ -447,18 +479,19 @@ def solve_group_n(self, n: int) -> None:
             self.bz_sigma_s[i, i],
             self.bz_A,
         )
-        l_fw = np.sqrt(abs(self.l_fw_2))
-        l_bz = np.sqrt(abs(self.l_bz_2))
-        c1 = self.flux * ... * l_fw
-        c2 = self.flux * ... * l_bz
-        c3 = self.flux * ...
-        c4 = self.flux * ...
+        l_fw = np.sqrt(abs(self.l_fw_2[i]))
+        l_bz = np.sqrt(abs(self.l_bz_2[i]))
+        c1 = ...
+        c2 = ...
+        c3 = ...
+        c4 = ...
         self.extended_boundary[i] = self.x_bz + extrapolation_length(d_bz)
         self.integration_constants[i] = [c1, c2, c3, c4]
+        return None
 
     @groupwise
     def neutron_flux_fw(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
-        """Neutron flux at the first wall.
+        """Neutron flux of the n-th group at the first wall, at location x [m].
 
         Parameters
         ----------
@@ -470,49 +503,56 @@ def neutron_flux_fw(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
             thus if x is outside the first-wall, an extrapolated first-wall flux value up
             to that point will be given, this flux is still guaranteed to be non-singular
             i.e. finite, but not guaranteed to be positive.
+
+        Returns
+        -------
+        flux:
+            Neutron flux at x meter from the first wall.
         """
         i = n - 1
         c1, c2 = self.integration_constants[i][:2]
         l_fw = np.sqrt(abs(self.l_fw_2[i]))
         x_l_fw = abs(x) / l_fw
-        sinh, cosh = (
-            (np.sinh, np.cosh) if self.l_fw_2 > 0 else (np.sin, np.cos)
-        )
-        # we specially store c1 and c2 such that if l_fw_2 is imaginary, then a different
-        # then c1 * sin and c2 * cos becomes real again.
-        return c1 * sinh(x_l_fw) + c2 * cosh(x_l_fw)
+        s, c = (np.sinh, np.cosh) if self.l_fw_2[i] > 0 else (np.sin, np.cos)
+        # we specially store c1 and c2 as real values, such that if l_fw_2 is
+        # imaginary, then c1 * sin and c2 * cos is still real.
+        return self.flux * (c1 * s(x_l_fw) + c2 * c(x_l_fw))
 
     @groupwise
     def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
-        """
-        Neutron flux at the blanket.
+        """Neutron flux of the n-th groupat the blanket, at location x [m].
 
         Parameters
         ----------
         n:
             The index of the neutron group whose flux is being evaluated.
         x:
-            The position where the neutron flux has to be evaluated.
+            The position where the neutron flux has to be evaluated. [m]
             Note that this function does not enforce a check for x=inside the blanket,
             thus if x is outside the blanket, an extrapolated blanket flux value up to
             that point will be given, this flux is still guaranteed to be non-singular
             i.e. finite, but not guaranteed to be positive.
+
+        Returns
+        -------
+        flux:
+            Neutron flux at x meter from the first wall.
         """
         i = n - 1
         c3, c4 = self.integration_constants[i][2:]
         l_bz = np.sqrt(abs(self.l_bz_2[i]))
         x_l_bz = x / abs(l_bz)
-        sinh, cosh = (
-            (np.sinh, np.cosh) if self.l_bz_2 > 0 else (np.sin, np.cos)
-        )
+        s, c = (np.sinh, np.cosh) if self.l_bz_2[i] > 0 else (np.sin, np.cos)
         # we specially store c3 and c4 such that if l_bz_2 is imaginary, then a different
         # then c3 * sin and c4 * cos becomes real again.
-        return c3 * sinh(x_l_bz) + c4 * cosh(x_l_bz)
+        return self.flux * (c3 * s(x_l_bz) + c4 * c(x_l_bz))
 
     @groupwise
     def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         """
-        Neutron flux
+        Neutron flux anywhere within the valid range of x,
+        i.e. from -self.x_bz to self.x_bz.
+
         Parameters
         ----------
         n:
@@ -520,6 +560,11 @@ def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         x:
             The depth where we want the neutron flux (m).
             Valid only between x= -extended boundary to +-extended boundary of that group
+
+        Raises
+        ------
+        ValueError
+            The inputted x
         """
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
@@ -529,7 +574,7 @@ def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         if (~np.logical_or(in_fw, in_bz)).any():
             raise ValueError(
                 f"for neutron group {n}, neutron flux can only be calculated up to "
-                f"{self.extended_boundary[n]}, which {x} violates!"
+                f"{self.extended_boundary[n]} cm, which {x * 100} cm violates!"
             )
 
         out_flux = np.zeros_like(x)

From 18874998a08980aeeb90bc090651191f62e47c2d Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 13 Jul 2025 21:04:29 +0100
Subject: [PATCH 09/98] Modified expression into sum-of-exponentials form,
 rather than sum-of-cosh+sinh.

---
 process/neutronics.py | 32 +++++++++++++-------------------
 1 file changed, 13 insertions(+), 19 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index e502441337..c1c4bb2f0c 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -420,27 +420,27 @@ def solve_one_group(self) -> None:
             sinh_bz = np.sinh((self.extended_boundary[i] - x_fw) / l_bz)
             cosh_bz = np.cosh((self.extended_boundary[i] - x_fw) / l_bz)
             tanh_bz = np.tanh((self.extended_boundary[i] - x_fw) / l_bz)
-            sinh_bz_full = np.sinh((self.extended_boundary[i]) / l_bz)
-            cosh_bz_full = np.cosh((self.extended_boundary[i]) / l_bz)
         else:
             sinh_bz = np.sin((self.extended_boundary[i] - x_fw) / l_bz)
             cosh_bz = np.cos((self.extended_boundary[i] - x_fw) / l_bz)
             tanh_bz = np.tan((self.extended_boundary[i] - x_fw) / l_bz)
-            sinh_bz_full = np.sin((self.extended_boundary[i]) / l_bz)
-            cosh_bz_full = np.cos((self.extended_boundary[i]) / l_bz)
 
-        c1 = l_fw / d_fw
-        c2 = l_fw / d_fw - np.exp(x_fw / l_fw) * (
-            (l_fw / d_fw) + (l_bz / d_bz) * tanh_bz
-        ) / (cosh_fw + sinh_fw * tanh_bz * (d_fw / l_fw) * (l_bz / d_bz))
+        c2 = (
+            np.exp(x_fw / l_fw)
+            / 2
+            * ((l_fw / d_fw) + (l_bz / d_bz) * tanh_bz)
+            / (cosh_fw + sinh_fw * tanh_bz * (d_fw / l_fw) * (l_bz / d_bz))
+        )
+        c1 = c2 - l_fw / d_fw
 
         c3_c4_common_factor = (
             np.exp(x_fw / l_fw)
+            / 2
             * (1 - tanh_fw)
             / ((d_bz / l_bz) * cosh_bz + (d_fw / l_fw) * tanh_fw * sinh_bz)
         )
-        c3 = c3_c4_common_factor * -cosh_bz_full
-        c4 = c3_c4_common_factor * sinh_bz_full
+        c3 = c3_c4_common_factor * np.exp(self.extended_boundary[i] / l_bz)
+        c4 = -c3_c4_common_factor * np.exp(-self.extended_boundary[i] / l_bz)
         self.integration_constants[i] = [c1, c2, c3, c4]
 
     def solve_group_n(self, n: int) -> None:
@@ -513,10 +513,7 @@ def neutron_flux_fw(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         c1, c2 = self.integration_constants[i][:2]
         l_fw = np.sqrt(abs(self.l_fw_2[i]))
         x_l_fw = abs(x) / l_fw
-        s, c = (np.sinh, np.cosh) if self.l_fw_2[i] > 0 else (np.sin, np.cos)
-        # we specially store c1 and c2 as real values, such that if l_fw_2 is
-        # imaginary, then c1 * sin and c2 * cos is still real.
-        return self.flux * (c1 * s(x_l_fw) + c2 * c(x_l_fw))
+        return self.flux * (c1 * np.exp(x_l_fw) + c2 * np.exp(-x_l_fw))
 
     @groupwise
     def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
@@ -541,11 +538,8 @@ def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         i = n - 1
         c3, c4 = self.integration_constants[i][2:]
         l_bz = np.sqrt(abs(self.l_bz_2[i]))
-        x_l_bz = x / abs(l_bz)
-        s, c = (np.sinh, np.cosh) if self.l_bz_2[i] > 0 else (np.sin, np.cos)
-        # we specially store c3 and c4 such that if l_bz_2 is imaginary, then a different
-        # then c3 * sin and c4 * cos becomes real again.
-        return self.flux * (c3 * s(x_l_bz) + c4 * c(x_l_bz))
+        x_l_bz = abs(x) / l_bz
+        return self.flux * (c3 * np.exp(x_l_bz) + c4 * np.exp(-x_l_bz))
 
     @groupwise
     def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:

From 210bb85dcdf3377f89f282dd457b73a90376a1ae Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Mon, 14 Jul 2025 02:32:04 +0100
Subject: [PATCH 10/98] Added reaction rates calculations and neutron
 passage/escape flux.

---
 process/neutronics.py | 128 +++++++++++++++++++++++++++++++++++++-----
 1 file changed, 114 insertions(+), 14 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index c1c4bb2f0c..7949161a65 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -17,6 +17,7 @@
 )
 from numpy import testing as npt
 from scipy.constants import Avogadro
+from scipy.special import expm1
 
 BARNS_CM2 = 1e-24
 N_A = Avogadro
@@ -33,12 +34,11 @@ def groupwise(func):
     @functools.wraps(func)
     def wrapper(self, *args, **kwargs):
         groupwise_func = getattr(self, groupwise_name)
-        return np.sum(
+        return np.array(
             [
                 groupwise_func(n, *args, **kwargs)
                 for n in range(1, self.n_groups + 1)
             ],
-            axis=0,
         )
 
     def wrapper_setattr(cls):
@@ -350,8 +350,7 @@ def __init__(
         ----------
         flux:
             Nuetron flux directly emitted by the plasma, incident on the first wall.
-            unit: arbitrary, but whichever unit used here will be the same unit used at
-            the output neutron_flux.
+            unit: cm^-2 s^-1
         fw_mat:
             first wall material
         x_fw:
@@ -363,7 +362,7 @@ def __init__(
         n_groups:
             number of groups used to approximate this.
         """
-        self.flux = flux
+        self.flux = flux  # flux incident on the first wall.
         if not (0 < x_fw < x_bz):
             raise ValueError(
                 f"Cannot construct a first-wall+blanket module where{x_fw=}, {x_bz=}."
@@ -374,16 +373,18 @@ def __init__(
         self.x_bz = x_bz * 100
         self.n_groups = n_groups
 
+        # macroscopic cross-sections Sigma saved here. Not capitalized due to style
         self.fw_sigma_t, self.fw_sigma_s, self.fw_A = (
             get_material_nuclear_data(self.fw_mat, n_groups)
         )
         self.bz_sigma_t, self.bz_sigma_s, self.bz_A = (
             get_material_nuclear_data(self.bz_mat, n_groups)
         )
-        # Dictionaries indexed by integers, so that we don't have to worry about ordering
+        # Dictionaries indexed by integers, so that we can create these values
+        # out of sequence without messing up the order.
         self.integration_constants = {}
-        self.extended_boundary = {}
         self.l_fw_2, self.l_bz_2 = {}, {}
+        self.extended_boundary = {}
 
     def solve_one_group(self) -> None:
         """
@@ -426,15 +427,17 @@ def solve_one_group(self) -> None:
             tanh_bz = np.tan((self.extended_boundary[i] - x_fw) / l_bz)
 
         c2 = (
-            np.exp(x_fw / l_fw)
+            self.flux
+            * np.exp(x_fw / l_fw)
             / 2
             * ((l_fw / d_fw) + (l_bz / d_bz) * tanh_bz)
             / (cosh_fw + sinh_fw * tanh_bz * (d_fw / l_fw) * (l_bz / d_bz))
         )
-        c1 = c2 - l_fw / d_fw
+        c1 = c2 - l_fw / d_fw * self.flux
 
         c3_c4_common_factor = (
-            np.exp(x_fw / l_fw)
+            self.flux
+            * np.exp(x_fw / l_fw)
             / 2
             * (1 - tanh_fw)
             / ((d_bz / l_bz) * cosh_bz + (d_fw / l_fw) * tanh_fw * sinh_bz)
@@ -513,7 +516,7 @@ def neutron_flux_fw(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         c1, c2 = self.integration_constants[i][:2]
         l_fw = np.sqrt(abs(self.l_fw_2[i]))
         x_l_fw = abs(x) / l_fw
-        return self.flux * (c1 * np.exp(x_l_fw) + c2 * np.exp(-x_l_fw))
+        return c1 * np.exp(x_l_fw) + c2 * np.exp(-x_l_fw)
 
     @groupwise
     def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
@@ -539,7 +542,7 @@ def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         c3, c4 = self.integration_constants[i][2:]
         l_bz = np.sqrt(abs(self.l_bz_2[i]))
         x_l_bz = abs(x) / l_bz
-        return self.flux * (c3 * np.exp(x_l_bz) + c4 * np.exp(-x_l_bz))
+        return c3 * np.exp(x_l_bz) + c4 * np.exp(-x_l_bz)
 
     @groupwise
     def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
@@ -572,6 +575,103 @@ def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
             )
 
         out_flux = np.zeros_like(x)
-        out_flux[in_fw] = self.groupwise_neutron_flux_fw(x[in_fw])
-        out_flux[in_bz] = self.groupwise_neutron_flux_bz(x[in_bz])
+        out_flux[in_fw] = self.groupwise_neutron_flux_fw(n, x[in_fw])
+        out_flux[in_bz] = self.groupwise_neutron_flux_bz(n, x[in_bz])
         return out_flux
+
+    # scalar values (one or two such floats per neutron group.)
+    @groupwise
+    def reaction_rate_fw(self, n: int, reaction_type: str) -> float:
+        """Calculate the reaction rate in the first wall.
+
+        Parameters
+        ----------
+        n:
+            The index of the neutron group that needs to be solved.
+        reaction_type:
+            Two options: "total" or "non-scattering".
+
+        """
+        self.solve_group_n(n)
+        i = n - 1
+        l_fw = np.sqrt(abs(self.l_fw_2[i]))
+        c1, c2, c3, c4 = self.integration_constants[i]
+        if reaction_type == "non-scattering":
+            sigma = self.fw_sigma_t[i] - self.fw_sigma_s[i, i]
+        elif reaction_type == "total":
+            sigma = self.fw_sigma_t[i]
+        else:
+            raise NotImplementedError(
+                f"Not yet implemented the reaction type {reaction_type}"
+            )
+        return sigma * (
+            c1 * expm1(self.x_fw / l_fw) - c2 * expm1(-self.x_fw / l_fw)
+        )
+
+    @groupwise
+    def reaction_rate_bz(self, n: int, reaction_type: str) -> float:
+        """Calculate the reaction rate in the blanket.
+
+        Parameters
+        ----------
+        n:
+            The index of the neutron group that needs to be solved.
+        reaction_type:
+            Two options: "total" or "non-scattering".
+
+        """
+        self.solve_group_n(n)
+        i = n - 1
+        l_bz = np.sqrt(abs(self.l_bz_2[i]))
+        c1, c2, c3, c4 = self.integration_constants[i]
+        if reaction_type == "non-scattering":
+            sigma = self.bz_sigma_t[i] - self.bz_sigma_s[i, i]
+        elif reaction_type == "total":
+            sigma = self.bz_sigma_t[i]
+        else:
+            raise NotImplementedError(
+                f"Not yet implemented the reaction type {reaction_type}"
+            )
+        # thicknesses in terms of bz path lengths
+        bz_thick = (self.x_bz - self.x_fw) / l_bz
+        fw_thick = self.x_fw / l_bz
+        return sigma * (
+            c3 * np.exp(fw_thick) * expm1(bz_thick)
+            - c4 * np.exp(-fw_thick) * expm1(-bz_thick)
+        )
+
+    @groupwise
+    def flux_fw2bz(self, n: int) -> float:
+        self.solve_group_n(n)
+        i = n - 1
+        c1, c2, c3, c4 = self.integration_constants[i]
+        l_bz_2, d_bz = get_diffusion_coefficient_and_length(
+            self.bz_sigma_t[i],
+            self.bz_sigma_s[i, i],
+            self.bz_A,
+        )
+        l_bz = np.sqrt(abs(l_bz_2))
+        return (
+            -d_bz
+            / l_bz
+            * (c3 * np.exp(self.x_fw / l_bz) - c4 * np.exp(-self.x_fw / l_bz))
+        )
+        # equivalent definition below: (should yield the same answer)
+        # self.flux_fw2bz[i] = - d_fw / l_fw * (c1 * np.exp(x_fw/l_fw) - c2 * np.exp(-x_fw/l_fw))
+
+    @groupwise
+    def flux_escaped(self, n: int) -> float:
+        self.solve_group_n(n)
+        i = n - 1
+        c1, c2, c3, c4 = self.integration_constants[i]
+        l_bz_2, d_bz = get_diffusion_coefficient_and_length(
+            self.bz_sigma_t[i],
+            self.bz_sigma_s[i, i],
+            self.bz_A,
+        )
+        l_bz = np.sqrt(abs(l_bz_2))
+        self.flux_escaped[i] = (
+            -d_bz
+            / l_bz
+            * (c3 * np.exp(self.x_bz / l_bz) - c4 * np.exp(-self.x_bz / l_bz))
+        )

From 93c5e9c6c1fe2503b77c57b471bab94199189388 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Mon, 14 Jul 2025 20:56:19 +0100
Subject: [PATCH 11/98] Added a unit test.

---
 tests/unit/test_neutronics.py | 25 +++++++++++++++++++++++++
 1 file changed, 25 insertions(+)
 create mode 100644 tests/unit/test_neutronics.py

diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
new file mode 100644
index 0000000000..8f41310411
--- /dev/null
+++ b/tests/unit/test_neutronics.py
@@ -0,0 +1,25 @@
+import pytest
+
+profile = NeutronFluxProfile(
+    1.0, #flux
+    "dummy-FW-mat",
+    0.01, #1cm
+    "dummy-BZ-mat",
+    0.11, #10cm thick blanket
+    n_groups=2,
+    )
+def test_has_fluxes():
+    assert hasattr(profile, "neutron_flux_at")
+    assert hasattr(profile, "groupwise_neutron_flux_at")
+    assert hasattr(profile, "neutron_flux_fw")
+    assert hasattr(profile, "groupwise_neutron_flux_fw")
+    assert hasattr(profile, "neutron_flux_bz")
+    assert hasattr(profile, "groupwise_neutron_flux_bz")
+
+def test_reactions():
+    assert hasattr(profile, "groupwise_reaction_rate_fw")
+    assert hasattr(profile, "reaction_rate_fw")
+    assert hasattr(profile, "groupwise_reaction_rate_bz")
+    assert hasattr(profile, "reaction_rate_bz")
+    assert hasattr(profile, "flux_fw2bz")
+    assert hasattr(profile, "flux_escaped")
\ No newline at end of file

From f991262bcdae267512f1dcfb306970ea3b3bc42b Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 29 Oct 2025 19:06:50 +0000
Subject: [PATCH 12/98] Re-distributed where functions and classes live.
 Materials data related classes and functions are now in neutronics_data.

---
 process/neutronics.py      | 326 +++++++------------------------------
 process/neutronics_data.py | 294 +++++++++++++++++++++++++++++++--
 2 files changed, 340 insertions(+), 280 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 7949161a65..d6262e87f5 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -6,22 +6,11 @@
 import functools
 
 import numpy as np
-from neutronics_data import (
-    ZeroContinuousFunc,
-    breeding_xs_data_bank,
-    extract_atomic_mass,
-    get_avg_atomic_mass,
-    material_composition_data_bank,
-    material_density_data_bank,
-    xs_data_bank,
-)
-from numpy import testing as npt
-from scipy.constants import Avogadro
+from neutronics_data import MaterialMacroInfo
+from numpy import typing as npt
 from scipy.special import expm1
 
-BARNS_CM2 = 1e-24
-N_A = Avogadro
-N2N_Q_VALUE = ...
+from process.exceptions import ProcessValidationError
 
 
 def groupwise(func):
@@ -123,226 +112,16 @@ def extrapolation_length(diffusion_coefficient: float) -> float:
     return 0.7104 * 3 * diffusion_coefficient
 
 
-def calculate_average_macro_xs(
-    composition: dict[str, float],
-    micro_xs: dict[str, float | npt.NDArray[np.float64]],
-    density: float,
-) -> float | npt.NDArray[np.float64]:
-    r"""
-    Calculate the macroscopic cross-section for a specific energy group and a specific
-    reaction (a scalar value), when given the microscopic cross-section values of its
-    components and its density.
-
-    Parameters
-    ----------
-    composition:
-        Fraction of each species of atoms of the medium. Does not have to be normalised.
-        Given in the format {'species': float(fraction)}.
-    micro_xs:
-        A dictionary of each species, and their microscopic cross-sections, given in
-        [barns].
-        Given in the format {'species': float(microscopic cross-section)}.
-    density:
-        Density of the medium, given in [g/cm^3]
-
-    Notes
-    -----
-    .. math::
-        \Sigma &= N_d\sigma
-        &= \frac{N_A}{A} \rho \sigma
-    """
-
-    total_fraction = sum(composition.values())
-    weighted_micro_xs, weighted_atomic_mass = [], []
-    if composition.keys() != micro_xs.keys():
-        raise KeyError(
-            "The two dictionaries 'composition' and 'micro_xs' must have matching keys."
-        )
-    for species, fraction in composition.items():
-        normalized_fraction = fraction / total_fraction
-        weighted_atomic_mass.append(
-            normalized_fraction * extract_atomic_mass(species)
-        )
-        weighted_micro_xs.append(normalized_fraction * micro_xs[species])
-    avg_sigma = np.sum(weighted_micro_xs, axis=0)
-    avg_mass_amu = sum(weighted_atomic_mass)
-    return (
-        (BARNS_CM2 * N_A) / avg_mass_amu * avg_sigma * density
-    )  # N_A/A * rho * sigma
-
-
-def discretize_xs(
-    continuous_xs, group_structure: list[float]
-) -> npt.NDArray[np.float64]:
-    """
-    Discretise a continuous cross-section function into a group structure of n discrete
-    flaots.
-
-    Parameters
-    ----------
-    continuous_xs:
-        continuous cross-section function to be discretized.
-    group_structure:
-        group structure of neutron energies, the n+1 energy bin boundaries for the n
-        neutron groups, in descending energies.
-
-    Returns
-    -------
-    :
-        microscopic cross-section values discretized according to the group structure.
-    """
-    return
-
-
-def scattering_weight_matrix(
-    group_structure: list[float], atomic_mass: float
-) -> npt.NDArray:
-    """
-    Parameters
-    ----------
-    group_structure:
-        the n+1 energy bin boundaries for the n neutron groups, in descending energies.
-    atomic_mass:
-        atomic mass of the medium
-
-    Returns
-    -------
-    :
-        A lower triangular matrix, where the i-th row contains the normalized weights for
-        scattering down from the i-th bin to the j-th bin. The main-diagonal contains
-        the self-scattering cross-section.
-        e.g. [2,1] would be the fraction of elastic scattering reactions that causes
-        neutrons from group 3 to scatter into group 2.
-        The upper triangle must be all zeros.
-        np.sum(axis=1) == np.ones(len(group_structure)-1).
-    """
-    return
-
-
-def expand_macro_neutron_multiplication_xs_into_matrix(
-    discrete_n2n_xs: npt.NDArray[np.float64],
-    group_structure: list[float],
-    q_value: float,
-) -> npt.NDArray:
-    """Instead of only having the macroscopic cross-section values for the (n,2n)
-    reaction for each group, calculate the macroscopic cross-section of neutron in the
-    [i]-th bin producing a neutron in the [j]-bin, recorded as the [i,j] element in the
-    matrix.
-
-    Parameters
-    ----------
-    discrete_n2n_xs:
-        The group-wise macroscopic cross-section for the n2n reaction.
-        A 1D numpy array, with len==number of neutron groups.
-    group_structure:
-        The n+1 energy bin boundaries for the n neutron groups, in descending energies.
-    q_value:
-        The difference in q-value.
-
-    Returns
-    -------
-    :
-        A macroscopic neutron multiplication cross-section matrix, such that each row
-        should sum to = 2 * discrete_n2n_xs (since two neutrons should be produced per
-        neutron consumed in the (n,2n) reaction).
-
-    Notes
-    -----
-    This is a three body problem. TODO: further investigation is needed to figure out
-    how to distribute the two outputted neutron's energies!
-    """
-
-
-def get_material_nuclear_data(
-    material: str, group_structure: list[float]
-) -> tuple[npt.NDArray[np.float64], npt.NDArray, float]:
-    """
-    The constants that is directly used.
-
-    Parameters
-    ----------
-    materials:
-        Which material that we want to get the data out of.
-    group_structure:
-        the n+1 energy bin boundaries for the n neutron groups, in descending energies.
-
-    Returns
-    -------
-    discrete_macro_total_xs:
-        All group-wise total cross-sections, given in ascending order.
-    macroscopic scattering cross-section matrix:
-        A lower-triangular matrix of total scattering cross-sections,
-        e.g. [2,1] would be the scattering cross-section from neutron group 3 to group 2.
-        The upper triangle MUST be zeros.
-    avg_atomic_mass:
-        average atomic mass, used for further calcuations
-
-    Notes
-    -----
-    When calculating the group-wise diffusion coefficients, the i-th group's scattering
-    cross-section :math:`\\Sigma_{s}` is the i-th element on the main diagonal of the
-    macroscopic scattering cross-section matrix.
-    """
-    density = material_density_data_bank[material]
-    composition = material_composition_data_bank[material]
-    avg_atomic_mass = get_avg_atomic_mass(composition)
-
-    # dicts of {"isotope": npt.NDArray[np.float64] 1D arrays}
-    micro_total_xs = {}
-    micro_scattering_xs = {}
-    micro_n2n_xs = {}
-    for species in composition:
-        total_xs_continuous, elastic_scattering_xs_continuous = xs_data_bank[
-            species
-        ]
-        n2n_xs_continuous = breeding_xs_data_bank.get(
-            species, ZeroContinuousFunc
-        )
-        micro_total_xs[species] = discretize_xs(
-            total_xs_continuous, group_structure
-        )
-        micro_scattering_xs[species] = discretize_xs(
-            elastic_scattering_xs_continuous, group_structure
-        )
-        micro_n2n_xs[species] = discretize_xs(
-            n2n_xs_continuous, group_structure
-        )
-
-    discrete_macro_total_xs = calculate_average_macro_xs(
-        composition, micro_total_xs, density
-    )
-    discrete_macro_scattering_xs = calculate_average_macro_xs(
-        composition, micro_scattering_xs, density
-    )
-    source_matrix = (
-        scattering_weight_matrix(group_structure, avg_atomic_mass).T
-        * discrete_macro_scattering_xs
-    ).T
-    for (
-        modified_composition_file,
-        modified_density,
-        q_value,
-    ) in n2n_susceptible_species:
-        source_matrix += expand_macro_neutron_multiplication_xs_into_matrix(
-            calculate_average_macro_xs(composition, micro_n2n_xs, density),
-            group_structure,
-            q_value,
-        )
-
-    return discrete_macro_total_xs, source_matrix, avg_atomic_mass
-
-
 class NeutronFluxProfile:
     """Neutron flux in the first wall or the blanket."""
 
     def __init__(
         self,
         flux: float,
-        fw_mat: str,
         x_fw: float,
-        bz_mat: str,
         x_bz: float,
-        n_groups: int = 1,
+        fw_mat: MaterialMacroInfo,
+        bz_mat: MaterialMacroInfo,
     ):
         """Initialize a particular FW-BZ geometry and neutron flux.
 
@@ -351,44 +130,55 @@ def __init__(
         flux:
             Nuetron flux directly emitted by the plasma, incident on the first wall.
             unit: cm^-2 s^-1
-        fw_mat:
-            first wall material
         x_fw:
             thickness of the first wall [m]. It will be converted and stored in [cm].
-        bz_mat:
-            blanket material
         x_bz:
             thickness of the blanket [m]. It will be converted and stored in [cm].
+        fw_mat:
+            first wall material information
+        bz_mat:
+            blanket material information
+
+        Attributes
+        ----------
+        x_fw:
+            thickness of the first wall, converted from [m] into [cm].
+        x_bz:
+            thickness of the blanket, converted from [m] into [cm].
         n_groups:
-            number of groups used to approximate this.
+            number of groups in the group structure
+        group_structure:
+            energy bin edges, 1D array of len = n_groups+1
         """
         self.flux = flux  # flux incident on the first wall.
         if not (0 < x_fw < x_bz):
             raise ValueError(
                 f"Cannot construct a first-wall+blanket module where{x_fw=}, {x_bz=}."
             )
-        self.fw_mat = fw_mat
         self.x_fw = x_fw * 100
-        self.bz_mat = bz_mat
         self.x_bz = x_bz * 100
-        self.n_groups = n_groups
+        self.fw_mat = fw_mat
+        self.bz_mat = bz_mat
+        self.n_groups = self.fw_mat.n_groups
+        self.group_structure = self.fw_mat.group_structure
+        if not np.isclose(
+            self.fw_mat.group_structure, self.bz_mat.group_structure
+        ):
+            raise ProcessValidationError(
+                "The first-wall material info and breeding zone material info"
+                "must have the same group structure!"
+            )
 
-        # macroscopic cross-sections Sigma saved here. Not capitalized due to style
-        self.fw_sigma_t, self.fw_sigma_s, self.fw_A = (
-            get_material_nuclear_data(self.fw_mat, n_groups)
-        )
-        self.bz_sigma_t, self.bz_sigma_s, self.bz_A = (
-            get_material_nuclear_data(self.bz_mat, n_groups)
-        )
+        # macroscopic cross-sections Sigma saved here.
         # Dictionaries indexed by integers, so that we can create these values
-        # out of sequence without messing up the order.
+        # out of sequence.
         self.integration_constants = {}
-        self.l_fw_2, self.l_bz_2 = {}, {}
+        self.l_fw_2, self.l_bz_2 = {}, {}  # diffusion lengths squared
         self.extended_boundary = {}
 
-    def solve_one_group(self) -> None:
+    def solve_lowest_group(self) -> None:
         """
-        Solve the first-group's neutron diffusion equation.
+        Solve the highest-energy (lowest-lethargy)-group's neutron diffusion equation.
         Store the solved constants in self.extended_boundary[0], self.l_fw_2[0],
         self.l_bz_2[0], and self.integration_constants[0].
         """
@@ -396,14 +186,14 @@ def solve_one_group(self) -> None:
         if i in self.integration_constants:
             return  # skip if it has already been solved.
         self.l_fw_2[i], d_fw = get_diffusion_coefficient_and_length(
-            self.fw_sigma_t[i],
-            self.fw_sigma_s[i, i],
-            self.fw_A,
+            self.fw_mat.sigma_t[i],
+            self.fw_mat.sigma_s[i, i],
+            self.fw_mat.avg_atomic_mass,
         )
         self.l_bz_2[i], d_bz = get_diffusion_coefficient_and_length(
-            self.bz_sigma_t[i],
-            self.bz_sigma_s[i, i],
-            self.bz_A,
+            self.bz_mat.sigma_t[i],
+            self.bz_mat.sigma_s[i, i],
+            self.bz_mat.avg_atomic_mass,
         )
         l_fw = np.sqrt(abs(self.l_fw_2[i]))
         l_bz = np.sqrt(abs(self.l_bz_2[i]))
@@ -465,7 +255,7 @@ def solve_group_n(self, n: int) -> None:
                 f"n must be a positive integer between 1 and {self.n_groups}!"
             )
         if n == 1:
-            return self.solve_one_group()
+            return self.solve_lowest_group()
         for k in range(n - 1):
             if k not in self.integration_constants:
                 self.solve_group_n(k)
@@ -473,14 +263,14 @@ def solve_group_n(self, n: int) -> None:
         if i in self.integration_constants:
             return None  # skip if it has already been solved.
         self.l_fw_2[i], d_fw = get_diffusion_coefficient_and_length(
-            self.fw_sigma_t[i],
-            self.fw_sigma_s[i, i],
-            self.fw_A,
+            self.fw_mat.sigma_t[i],
+            self.fw_mat.sigma_s[i, i],
+            self.fw_mat.avg_atomic_mass,
         )
         self.l_bz_2[i], d_bz = get_diffusion_coefficient_and_length(
-            self.bz_sigma_t[i],
-            self.bz_sigma_s[i, i],
-            self.bz_A,
+            self.bz_mat.sigma_t[i],
+            self.bz_mat.sigma_s[i, i],
+            self.bz_mat.avg_atomic_mass,
         )
         l_fw = np.sqrt(abs(self.l_fw_2[i]))
         l_bz = np.sqrt(abs(self.l_bz_2[i]))
@@ -597,9 +387,9 @@ def reaction_rate_fw(self, n: int, reaction_type: str) -> float:
         l_fw = np.sqrt(abs(self.l_fw_2[i]))
         c1, c2, c3, c4 = self.integration_constants[i]
         if reaction_type == "non-scattering":
-            sigma = self.fw_sigma_t[i] - self.fw_sigma_s[i, i]
+            sigma = self.fw_mat.sigma_t[i] - self.fw_mat.sigma_s[i, i]
         elif reaction_type == "total":
-            sigma = self.fw_sigma_t[i]
+            sigma = self.fw_mat.sigma_t[i]
         else:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
@@ -625,9 +415,9 @@ def reaction_rate_bz(self, n: int, reaction_type: str) -> float:
         l_bz = np.sqrt(abs(self.l_bz_2[i]))
         c1, c2, c3, c4 = self.integration_constants[i]
         if reaction_type == "non-scattering":
-            sigma = self.bz_sigma_t[i] - self.bz_sigma_s[i, i]
+            sigma = self.bz_mat.sigma_t[i] - self.bz_mat.sigma_s[i, i]
         elif reaction_type == "total":
-            sigma = self.bz_sigma_t[i]
+            sigma = self.bz_mat.sigma_t[i]
         else:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
@@ -646,9 +436,9 @@ def flux_fw2bz(self, n: int) -> float:
         i = n - 1
         c1, c2, c3, c4 = self.integration_constants[i]
         l_bz_2, d_bz = get_diffusion_coefficient_and_length(
-            self.bz_sigma_t[i],
-            self.bz_sigma_s[i, i],
-            self.bz_A,
+            self.bz_mat.sigma_t[i],
+            self.bz_mat.sigma_s[i, i],
+            self.bz_mat.avg_atomic_mass,
         )
         l_bz = np.sqrt(abs(l_bz_2))
         return (
@@ -665,9 +455,9 @@ def flux_escaped(self, n: int) -> float:
         i = n - 1
         c1, c2, c3, c4 = self.integration_constants[i]
         l_bz_2, d_bz = get_diffusion_coefficient_and_length(
-            self.bz_sigma_t[i],
-            self.bz_sigma_s[i, i],
-            self.bz_A,
+            self.bz_mat.sigma_t[i],
+            self.bz_mat.sigma_s[i, i],
+            self.bz_mat.avg_atomic_mass,
         )
         l_bz = np.sqrt(abs(l_bz_2))
         self.flux_escaped[i] = (
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index a0a188d049..a7c29f05f1 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -1,14 +1,32 @@
+from dataclasses import dataclass
+from itertools import islice
+from pathlib import Path
+
 import numpy as np
+from numpy import typing as npt
+from scipy.constants import Avogadro
 
+from process.exceptions import ProcessValidationError
 
-class ZeroContinuousFunc:
-    """A dummy class that returns 0 whenever called."""
+BARNS_CM2 = 1e-24
+N_A = Avogadro
+N2N_Q_VALUE = ...
+_ATOMIC_MASS = {}
 
-    def __call__(self, x):
-        """Return 0 for al cases."""
-        if np.isscalar(x):
-            return 0.0
-        return np.zeros_like(x)
+
+def extract_atomic_mass(isotope: str) -> float:
+    """Copied from openmc 0.15.2: openmc.data.data"""
+    if not _ATOMIC_MASS:
+        mass_file = Path(__file__) / "data" / "mass_1.mas20.txt"
+        with open(mass_file) as ame:
+            # Read lines in file starting at line 37
+            for line in islice(ame, 36, None):
+                name = f"{line[20:22].strip()}{int(line[16:19])}"
+                mass = float(line[106:109]) + 1e-6 * float(
+                    line[110:116] + "." + line[117:123]
+                )
+                _ATOMIC_MASS[name.lower()] = mass
+    return _ATOMIC_MASS[isotope.lower()]
 
 
 def get_avg_atomic_mass(composition: dict[str, float]) -> float:
@@ -20,16 +38,268 @@ def get_avg_atomic_mass(composition: dict[str, float]) -> float:
     """
     total_fraction = sum(composition.values())
     return sum(
-        extract_atomic_mass(species) * fraction / total_fraction
+        extract_atomic_mass(species) * (fraction / total_fraction)
         for species, fraction in composition.items()
     )
 
 
-def extract_atomic_mass(species: str) -> float:
-    return
-
-
 material_density_data_bank = ...
 material_composition_data_bank = ...
 xs_data_bank = ...
 breeding_xs_data_bank = ...
+
+
+def calculate_average_macro_xs(
+    composition: dict[str, float],
+    micro_xs: dict[str, float | npt.NDArray[np.float64]],
+    density: float,
+) -> float | npt.NDArray[np.float64]:
+    r"""
+    Calculate the macroscopic cross-section for a specific energy group and a specific
+    reaction (a scalar value), when given the microscopic cross-section values of its
+    components and its density.
+
+    Parameters
+    ----------
+    composition:
+        Fraction of each species of atoms of the medium. Does not have to be normalised.
+        Given in the format {'species': float(fraction)}.
+    micro_xs:
+        A dictionary of each species, and their microscopic cross-sections, given in
+        [barns].
+        Given in the format {'species': float(microscopic cross-section)}.
+    density:
+        Density of the medium, given in [g/cm^3]
+
+    Notes
+    -----
+    .. math::
+        \Sigma &= N_d\sigma
+        &= \frac{N_A}{A} \rho \sigma
+    """
+
+    total_fraction = sum(composition.values())
+    weighted_micro_xs, weighted_atomic_mass = [], []
+    if composition.keys() != micro_xs.keys():
+        raise KeyError(
+            "The two dictionaries 'composition' and 'micro_xs' must have matching keys."
+        )
+    for species, fraction in composition.items():
+        normalized_fraction = fraction / total_fraction
+        weighted_atomic_mass.append(
+            normalized_fraction * extract_atomic_mass(species)
+        )
+        weighted_micro_xs.append(normalized_fraction * micro_xs[species])
+    avg_sigma = np.sum(weighted_micro_xs, axis=0)
+    avg_mass_amu = sum(weighted_atomic_mass)
+    return (
+        (BARNS_CM2 * N_A) / avg_mass_amu * avg_sigma * density
+    )  # N_A/A * rho * sigma
+
+
+def discretize_xs(
+    continuous_xs, group_structure: list[float]
+) -> npt.NDArray[np.float64]:
+    """
+    Discretise a continuous cross-section function into a group structure of n discrete
+    flaots.
+
+    Parameters
+    ----------
+    continuous_xs:
+        continuous cross-section function to be discretized.
+    group_structure:
+        group structure of neutron energies, the n+1 energy bin boundaries for the n
+        neutron groups, in descending energies.
+
+    Returns
+    -------
+    :
+        microscopic cross-section values discretized according to the group structure.
+    """
+    return group_structure, continuous_xs
+
+
+def scattering_weight_matrix(
+    group_structure: list[float], atomic_mass: float
+) -> npt.NDArray:
+    """
+    Parameters
+    ----------
+    group_structure:
+        the n+1 energy bin boundaries for the n neutron groups, in descending energies.
+    atomic_mass:
+        atomic mass of the medium
+
+    Returns
+    -------
+    :
+        A lower triangular matrix, where the i-th row contains the normalized weights for
+        scattering down from the i-th bin to the j-th bin. The main-diagonal contains
+        the self-scattering cross-section.
+        e.g. [2,1] would be the fraction of elastic scattering reactions that causes
+        neutrons from group 3 to scatter into group 2.
+        The upper triangle must be all zeros.
+        np.sum(axis=1) == np.ones(len(group_structure)-1).
+    """
+    return atomic_mass, group_structure
+
+
+def expand_macro_neutron_multiplication_xs_into_matrix(
+    discrete_n2n_xs: npt.NDArray[np.float64],
+    group_structure: list[float],
+    q_value: float,
+) -> npt.NDArray:
+    """Instead of only having the macroscopic cross-section values for the (n,2n)
+    reaction for each group, calculate the macroscopic cross-section of neutron in the
+    [i]-th bin producing a neutron in the [j]-bin, recorded as the [i,j] element in the
+    matrix.
+
+    Parameters
+    ----------
+    discrete_n2n_xs:
+        The group-wise macroscopic cross-section for the n2n reaction.
+        A 1D numpy array, with len==number of neutron groups.
+    group_structure:
+        The n+1 energy bin boundaries for the n neutron groups, in descending energies.
+    q_value:
+        The difference in q-value.
+
+    Returns
+    -------
+    :
+        A macroscopic neutron multiplication cross-section matrix, such that each row
+        should sum to = 2 * discrete_n2n_xs (since two neutrons should be produced per
+        neutron consumed in the (n,2n) reaction).
+
+    Notes
+    -----
+    This is a three body problem. TODO: further investigation is needed to figure out
+    how to distribute the two outputted neutron's energies!
+    """
+
+
+class ZeroContinuousFunc:
+    """A dummy class that returns 0 whenever called."""
+
+    def __call__(self, x):
+        """Return 0 for al cases."""
+        if np.isscalar(x):
+            return 0.0
+        return np.zeros_like(x)
+
+
+@dataclass
+class MaterialMacroInfo:
+    """Material information"""
+
+    sigma_t: npt.NDArray[np.float64]  # Sigma_total, 1D array of len = n
+    sigma_s: npt.NDArray  # Sigma_scattering from group i to j, 2D array of n*n
+    group_structure: npt.NDArray  # energy bin edges, 1D array of len = n+1
+    avg_atomic_mass: float  # average atomic mass (weighted by fraction)
+
+    def __post_init__(self):
+        """Validation to confirm the shape is correct."""
+        if len(self.sigma_t) != self.n_groups:
+            raise ProcessValidationError(
+                f"total group-wise cross-sections should have {self.n_groups} "
+                "groups as specified by the group_structure."
+            )
+        if np.shape(self.sigma_s) != (self.n_groups, self.n_groups):
+            raise ProcessValidationError(
+                "Group-wise scattering cross-sections be a square matrix of "
+                f"shape n*n, where n= number of groups = {self.n_groups}."
+            )
+        self.avg_atomic_mass = float(self.avg_atomic_mass)  # force into float
+
+    @property
+    def n_groups(self):
+        """Store this attribute upon first retrieval."""
+        if not hasattr(self, "_n_groups"):
+            self._n_groups = len(self.group_structure) - 1
+        return self._n_groups
+
+
+def get_material_nuclear_data(
+    material: str, group_structure: list[float]
+) -> MaterialMacroInfo:
+    """
+    The constants that is directly used.
+
+    Parameters
+    ----------
+    materials:
+        Which material that we want to get the data out of.
+    group_structure:
+        the n+1 energy bin boundaries for the n neutron groups, in descending energies.
+
+    Returns
+    -------
+    discrete_macro_total_xs:
+        All group-wise total cross-sections, given in ascending order.
+    macroscopic scattering cross-section matrix:
+        A lower-triangular matrix of total scattering cross-sections,
+        e.g. [2,1] would be the scattering cross-section from neutron group 3 to group 2.
+        The upper triangle MUST be zeros.
+    avg_atomic_mass:
+        average atomic mass, used for further calcuations
+
+    Notes
+    -----
+    When calculating the group-wise diffusion coefficients, the i-th group's scattering
+    cross-section :math:`\\Sigma_{s}` is the i-th element on the main diagonal of the
+    macroscopic scattering cross-section matrix.
+    """
+    density = material_density_data_bank[material]
+    composition = material_composition_data_bank[material]
+    avg_atomic_mass = get_avg_atomic_mass(composition)
+
+    # dicts of {"isotope": npt.NDArray[np.float64] 1D arrays}
+    micro_total_xs = {}
+    micro_scattering_xs = {}
+    micro_n2n_xs = {}
+    for species in composition:
+        total_xs_continuous, elastic_scattering_xs_continuous = xs_data_bank[
+            species
+        ]
+        n2n_xs_continuous = breeding_xs_data_bank.get(
+            species, ZeroContinuousFunc
+        )
+        micro_total_xs[species] = discretize_xs(
+            total_xs_continuous, group_structure
+        )
+        micro_scattering_xs[species] = discretize_xs(
+            elastic_scattering_xs_continuous, group_structure
+        )
+        micro_n2n_xs[species] = discretize_xs(
+            n2n_xs_continuous, group_structure
+        )
+
+    discrete_macro_total_xs = calculate_average_macro_xs(
+        composition, micro_total_xs, density
+    )
+    discrete_macro_scattering_xs = calculate_average_macro_xs(
+        composition, micro_scattering_xs, density
+    )
+    source_matrix = (
+        scattering_weight_matrix(group_structure, avg_atomic_mass).T
+        * discrete_macro_scattering_xs
+    ).T
+    n2n_susceptible_species = ...
+    for (
+        modified_composition_file,
+        modified_density,
+        q_value,
+    ) in n2n_susceptible_species:
+        source_matrix += expand_macro_neutron_multiplication_xs_into_matrix(
+            calculate_average_macro_xs(composition, micro_n2n_xs, density),
+            group_structure,
+            q_value,
+        )
+
+    return MaterialMacroInfo(
+        discrete_macro_total_xs,
+        source_matrix,
+        group_structure,
+        avg_atomic_mass,
+    )

From 5f6d6253f5d1482b8044f189506939f82c997f31 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 29 Oct 2025 19:07:28 +0000
Subject: [PATCH 13/98] Added publically available data (same source as
 openmc), so we don't have to import openmc.

---
 process/data/mass_1.mas20.txt | 3594 +++++++++++++++++++++++++++++++++
 1 file changed, 3594 insertions(+)
 create mode 100644 process/data/mass_1.mas20.txt

diff --git a/process/data/mass_1.mas20.txt b/process/data/mass_1.mas20.txt
new file mode 100644
index 0000000000..ce12b2c4a5
--- /dev/null
+++ b/process/data/mass_1.mas20.txt
@@ -0,0 +1,3594 @@
+1    a0dsskgw                                 A T O M I C   M A S S   A D J U S T M E N T
+0                                                     DATE  3 Mar 2021 TIME 22:41
+0        *********************                               A=   0 TO 295
+         * file : mass.mas20 *
+         *********************
+
+   This is one file out of a series of 3 files published in:
+       "The Ame2020 atomic mass evaluation (I)"   by W.J.Huang, M.Wang, F.G.Kondev, G.Audi and S.Naimi
+           Chinese Physics C45, 030002, March 2021.
+       "The Ame2020 atomic mass evaluation (II)"  by M.Wang, W.J.Huang, F.G.Kondev, G.Audi and S.Naimi
+           Chinese Physics C45, 030003, March 2021.
+                       for files : mass.mas20 : atomic masses
+                                   rct1.mas20 : react and sep energies,  part 1
+                                   rct2.mas20 : react and sep energies,  part 2
+   A fourth file  is the "Rounded" version of the atomic mass table (the first file)
+                                   massround.mas20  atomic masses "Rounded" version
+
+   Values in files 1, 2 and 3 are unrounded version of the published ones
+   Values in file  4          are exact copy of the published ones
+
+   col 1     :  Fortran character control: 1 = page feed  0 = line feed
+   format    :  a1,i3,i5,i5,i5,1x,a3,a4,1x,f14.6,f12.6,f13.5,1x,f10.5,1x,a2,f13.5,f11.5,1x,i3,1x,f13.6,f12.6
+                cc NZ  N  Z  A    el  o     mass  unc binding unc      B  beta  unc    atomic_mass   unc
+   Warnings  :  this format is not identical to that used in AME2016;
+                one more digit is added to the "BINDING ENERGY/A", "BETA-DECAY ENERGY" and "ATOMIC-MASS" values and their uncertainties;
+                # in a place of decimal point : estimated (non-experimental) value;
+                * in a place of value : the not calculable quantity
+
+....+....1....+....2....+....3....+....4....+....5....+....6....+....7....+....8....+....9....+...10....+...11....+...12....+...13
+
+
+                                                               MASS LIST
+                                                             for analysis
+
+1N-Z    N    Z   A  EL    O     MASS EXCESS           BINDING ENERGY/A        BETA-DECAY ENERGY               ATOMIC MASS
+                                   (keV)                  (keV)                    (keV)                        (micro-u)
+0  1    1    0    1  n         8071.31806     0.00044       0.0        0.0     B-    782.3470     0.0004    1 008664.91590     0.00047
+  -1    0    1    1 H          7288.971064    0.000013      0.0        0.0     B-      *                    1 007825.031898    0.000014
+0  0    1    1    2 H         13135.722895    0.000015   1112.2831     0.0002  B-      *                    2 014101.777844    0.000015
+0  1    2    1    3 H         14949.81090     0.00008    2827.2654     0.0003  B-     18.59202    0.00006   3 016049.28132     0.00008
+  -1    1    2    3 He        14931.21888     0.00006    2572.68044    0.00015 B- -13736#      2000#        3 016029.32197     0.00006
+  -3    0    3    3 Li  -pp   28667#       2000#        -2267#       667#      B-      *                    3 030775#       2147#
+0  2    3    1    4 H    -n   24621.129     100.000      1720.4491    25.0000  B-  22196.2131   100.0000    4 026431.867     107.354
+   0    2    2    4 He         2424.91587     0.00015    7073.9156     0.0002  B- -22898.2740   212.1320    4 002603.25413     0.00016
+  -2    1    3    4 Li   -p   25323.190     212.132      1153.7603    53.0330  B-      *                    4 027185.561     227.733
+0  3    4    1    5 H   -nn   32892.447      89.443      1336.3592    17.8885  B-  21661.2131    91.6515    5 035311.492      96.020
+   1    3    2    5 He   -n   11231.234      20.000      5512.1325     4.0000  B-   -447.6529    53.8516    5 012057.224      21.470
+  -1    2    3    5 Li   -p   11678.887      50.000      5266.1325    10.0000  B- -25460#      2003#        5 012537.800      53.677
+  -3    1    4    5 Be    x   37139#       2003#           18#       401#      B-      *                    5 039870#       2150#
+0  4    5    1    6 H   -3n   41875.725     254.127       961.6395    42.3545  B-  24283.6294   254.1268    6 044955.437     272.816
+   2    4    2    6 He        17592.095       0.053      4878.5199     0.0089  B-   3505.2147     0.0532    6 018885.889       0.057
+   0    3    3    6 Li        14086.88044     0.00144    5332.3312     0.0003  B-  -4288.1534     5.4478    6 015122.88742     0.00155
+  -2    2    4    6 Be    -   18375.034       5.448      4487.2478     0.9080  B- -28945#      2003#        6 019726.409       5.848
+  -4    1    5    6 B     x   47320#       2003#         -467#       334#      B-      *                    6 050800#       2150#
+0  5    6    1    7 H   -nn   49135#       1004#          940#       143#      B-  23062#      1004#        7 052749#       1078#
+   3    5    2    7 He   -n   26073.128       7.559      4123.0578     1.0799  B-  11166.0229     7.5595    7 027990.652       8.115
+   1    4    3    7 Li        14907.10463     0.00419    5606.4401     0.0006  B-   -861.8930     0.0707    7 016003.43426     0.00450
+  -1    3    4    7 Be        15768.998       0.071      5371.5487     0.0101  B- -11907.5551    25.1504    7 016928.714       0.076
+  -3    2    5    7 B   p4n   27676.553      25.150      3558.7055     3.5929  B-      *                    7 029712.000      27.000
+0  4    6    2    8 He        31609.683       0.089      3924.5210     0.0111  B-  10663.8784     0.1005    8 033934.388       0.095
+   2    5    3    8 Li        20945.805       0.047      5159.7124     0.0059  B-  16004.1329     0.0591    8 022486.244       0.050
+   0    4    4    8 Be   -a    4941.672       0.035      7062.4356     0.0044  B- -17979.8973     1.0005    8 005305.102       0.037
+  -2    3    5    8 B         22921.569       1.000      4717.1551     0.1250  B- -12142.7002    18.2704    8 024607.315       1.073
+  -4    2    6    8 C         35064.269      18.243      3101.5242     2.2804  B-      *                    8 037643.039      19.584
+0  5    7    2    9 He        40935.826      46.816      3349.0380     5.2018  B-  15980.9213    46.8169    9 043946.414      50.259
+   3    6    3    9 Li  -3n   24954.905       0.186      5037.7685     0.0207  B-  13606.4541     0.2014    9 026790.191       0.200
+   1    5    4    9 Be        11348.451       0.076      6462.6693     0.0085  B-  -1068.0349     0.8994    9 012183.062       0.082
+  -1    4    5    9 B     -   12416.486       0.903      6257.0713     0.1003  B- -16494.4854     2.3195    9 013329.645       0.969
+  -3    3    6    9 C   -pp   28910.971       2.137      4337.4233     0.2374  B-      *                    9 031037.202       2.293
+0  6    8    2   10 He  -nn   49197.147      92.848      2995.1340     9.2848  B-  16144.5191    93.7152   10 052815.306      99.676
+   4    7    3   10 Li   -n   33052.628      12.721      4531.3512     1.2721  B-  20445.1411    12.7216   10 035483.453      13.656
+   2    6    4   10 Be        12607.487       0.081      6497.6306     0.0081  B-    556.8759     0.0822   10 013534.692       0.086
+   0    5    5   10 B         12050.611       0.015      6475.0835     0.0015  B-  -3648.0623     0.0687   10 012936.862       0.016
+  -2    4    6   10 C         15698.673       0.070      6032.0426     0.0070  B- -23101.3545   400.0000   10 016853.217       0.075
+  -4    3    7   10 N    --   38800.027     400.000      3643.6724    40.0000  B-      *                   10 041653.540     429.417
+0  5    8    3   11 Li    x   40728.259       0.615      4155.3817     0.0559  B-  20551.0898     0.6591   11 043723.581       0.660
+   3    7    4   11 Be        20177.169       0.238      5952.5402     0.0216  B-  11509.4607     0.2380   11 021661.080       0.255
+   1    6    5   11 B          8667.708       0.012      6927.7323     0.0011  B-  -1981.6889     0.0608   11 009305.166       0.013
+  -1    5    6   11 C         10649.397       0.060      6676.4563     0.0054  B- -13716.2469     5.0008   11 011432.597       0.064
+  -3    4    7   11 N    -p   24365.644       5.000      5358.4023     0.4546  B- -23373.2693    60.2459   11 026157.593       5.368
+  -5    3    8   11 O   -pp   47738.913      60.038      3162.4372     5.4580  B-      *                   11 051249.828      64.453
+0  6    9    3   12 Li   -n   49009.577      30.006      3791.5999     2.5005  B-  23931.8152    30.0669   12 052613.942      32.213
+   4    8    4   12 Be        25077.761       1.909      5720.7223     0.1590  B-  11708.3636     2.3214   12 026922.082       2.048
+   2    7    5   12 B         13369.398       1.321      6631.2237     0.1101  B-  13369.3979     1.3214   12 014352.638       1.418
+   0    6    6   12 C             0.0         0.0        7680.1446     0.0002  B- -17338.0681     0.9999   12 000000.0         0.0
+  -2    5    7   12 N         17338.068       1.000      6170.1100     0.0833  B- -14675.2668    12.0418   12 018613.180       1.073
+  -4    4    8   12 O   -pp   32013.335      12.000      4881.9755     1.0000  B-      *                   12 034367.726      12.882
+0  7   10    3   13 Li  -nn   56980.895      70.003      3507.6307     5.3848  B-  23321.8152    70.7391   13 061171.503      75.150
+   5    9    4   13 Be   -n   33659.080      10.180      5241.4359     0.7831  B-  17097.1315    10.2295   13 036134.506      10.929
+   3    8    5   13 B   -nn   16561.948       1.000      6496.4194     0.0769  B-  13436.9387     1.0001   13 017779.981       1.073
+   1    7    6   13 C          3125.00933     0.00023    7469.8495     0.0002  B-  -2220.4718     0.2695   13 003354.83534     0.00025
+  -1    6    7   13 N    -p    5345.481       0.270      7238.8634     0.0207  B- -17769.9506     9.5301   13 005738.609       0.289
+  -3    5    8   13 O   +3n   23115.432       9.526      5811.7636     0.7328  B- -18915#       500#       13 024815.435      10.226
+  -5    4    9   13 F     x   42030#        500#         4297#        38#      B-      *                   13 045121#        537#
+0  6   10    4   14 Be    x   39954.502     132.245      4993.8973     9.4461  B-  16290.8166   133.9357   14 042892.920     141.970
+   4    9    5   14 B         23663.686      21.213      6101.6451     1.5152  B-  20643.7926    21.2133   14 025404.010      22.773
+   2    8    6   14 C          3019.89328     0.00375    7520.3198     0.0004  B-    156.4765     0.0037   14 003241.98862     0.00403
+   0    7    7   14 N          2863.41683     0.00022    7475.6148     0.0002  B-  -5144.3643     0.0252   14 003074.00425     0.00024
+  -2    6    8   14 O          8007.781       0.025      7052.2783     0.0018  B- -23956.6215    41.1187   14 008596.706       0.027
+  -4    5    9   14 F    -p   31964.403      41.119      5285.2091     2.9371  B-      *                   14 034315.196      44.142
+0  7   11    4   15 Be   -n   49825.821     165.797      4540.9708    11.0532  B-  20868.4411   167.1256   15 053490.215     177.990
+   5   10    5   15 B         28957.379      21.029      5880.0438     1.4019  B-  19084.2343    21.0442   15 031087.023      22.575
+   3    9    6   15 C    -n    9873.145       0.800      7100.1696     0.0533  B-   9771.7071     0.8000   15 010599.256       0.858
+   1    8    7   15 N           101.43809     0.00058    7699.4603     0.0002  B-  -2754.1841     0.4902   15 000108.89827     0.00062
+  -1    7    8   15 O          2855.622       0.490      7463.6915     0.0327  B- -13711.1300    14.0086   15 003065.636       0.526
+  -3    6    9   15 F    -p   16566.752      14.000      6497.4597     0.9333  B- -23648.6215    68.1377   15 017785.139      15.029
+  -5    5   10   15 Ne  -pp   40215.374      66.684      4868.7285     4.4456  B-      *                   15 043172.977      71.588
+0  8   12    4   16 Be  -nn   57447.139     165.797      4285.2851    10.3623  B-  20335.4399   167.6075   16 061672.036     177.990
+   6   11    5   16 B         37111.699      24.566      5507.3535     1.5354  B-  23417.5656    24.8254   16 039841.045      26.373
+   4   10    6   16 C   -nn   13694.133       3.578      6922.0546     0.2236  B-   8010.2260     4.2540   16 014701.255       3.840
+   2    9    7   16 N    -n    5683.907       2.301      7373.7971     0.1438  B-  10420.9094     2.3014   16 006101.925       2.470
+   0    8    8   16 O         -4737.00217     0.00030    7976.2072     0.0002  B- -15412.1840     5.3642   15 994914.61926     0.00032
+  -2    7    9   16 F         10675.182       5.364      6964.0490     0.3353  B- -13311.5932    21.1709   16 011460.278       5.758
+  -4    6   10   16 Ne   --   23986.775      20.480      6083.1777     1.2800  B-      *                   16 025750.860      21.986
+0  7   12    5   17 B     x   43716.322     204.104      5269.6677    12.0061  B-  22684.4422   204.8410   17 046931.399     219.114
+   5   11    6   17 C  2p-n   21031.880      17.365      6558.0262     1.0215  B-  13161.8007    22.9464   17 022578.650      18.641
+   3   10    7   17 N    +p    7870.079      15.000      7286.2294     0.8824  B-   8678.8430    15.0000   17 008448.876      16.103
+   1    9    8   17 O          -808.76421     0.00064    7750.7291     0.0002  B-  -2760.4655     0.2479   16 999131.75595     0.00069
+  -1    8    9   17 F          1951.701       0.248      7542.3284     0.0146  B- -14548.7507     0.4323   17 002095.237       0.266
+  -3    7   10   17 Ne        16500.452       0.354      6640.4991     0.0208  B- -18219.1277    59.6167   17 017713.962       0.380
+  -5    6   11   17 Na    x   34719.580      59.616      5522.7653     3.5068  B-      *                   17 037273.000      64.000
+0  8   13    5   18 B    -n   51792.640     204.165      4976.6306    11.3425  B-  26873.3742   206.3572   18 055601.683     219.180
+   6   12    6   18 C    ++   24919.266      30.000      6426.1321     1.6667  B-  11806.0982    35.2821   18 026751.930      32.206
+   4   11    7   18 N     +   13113.167      18.570      7038.5627     1.0316  B-  13895.9838    18.5695   18 014077.563      19.935
+   2   10    8   18 O          -782.81634     0.00064    7767.0981     0.0002  B-  -1655.9288     0.4633   17 999159.61214     0.00069
+   0    9    9   18 F           873.112       0.463      7631.6383     0.0257  B-  -4444.5049     0.5888   18 000937.324       0.497
+  -2    8   10   18 Ne         5317.617       0.363      7341.2577     0.0202  B- -19720.3745    93.8819   18 005708.696       0.390
+  -4    7   11   18 Na        25037.992      93.881      6202.2176     5.2156  B-      *                   18 026879.388     100.785
+0  9   14    5   19 B     x   59770.251     525.363      4719.6346    27.6507  B-  27356.4961   534.4964   19 064166.000     564.000
+   7   13    6   19 C    -n   32413.754      98.389      6118.2740     5.1784  B-  16557.4995    99.7475   19 034797.594     105.625
+   5   12    7   19 N  p-2n   15856.255      16.404      6948.5452     0.8634  B-  12523.3972    16.6143   19 017022.389      17.610
+   3   11    8   19 O    -n    3332.858       2.637      7566.4952     0.1388  B-   4820.3029     2.6370   19 003577.969       2.830
+   1   10    9   19 F         -1487.44512     0.00082    7779.0192     0.0002  B-  -3239.4986     0.1601   18 998403.16207     0.00088
+  -1    9   10   19 Ne  +3n    1752.054       0.160      7567.3431     0.0084  B- -11177.3310    10.5364   19 001880.906       0.171
+  -3    8   11   19 Na        12929.384      10.535      6937.8864     0.5545  B- -18909.0095    60.9189   19 013880.264      11.309
+  -5    7   12   19 Mg  -pp   31838.394      60.001      5901.4992     3.1579  B-      *                   19 034179.920      64.413
+0 10   15    5   20 B    -n   69401.569     546.357      4405.6529    27.3178  B-  31898.0019   593.0377   20 074505.644     586.538
+   8   14    6   20 C     x   37503.567     230.625      5961.4356    11.5312  B-  15737.0689   243.7459   20 040261.732     247.585
+   6   13    7   20 N     x   21766.498      78.894      6709.1717     3.9447  B-  17970.3261    78.8991   20 023367.295      84.696
+   4   12    8   20 O   -nn    3796.172       0.885      7568.5707     0.0442  B-   3813.6349     0.8854   20 004075.357       0.950
+   2   11    9   20 F    -n     -17.463       0.030      7720.1351     0.0015  B-   7024.4689     0.0297   19 999981.252       0.031
+   0   10   10   20 Ne        -7041.93217     0.00154    8032.2412     0.0002  B- -13892.4207     1.1090   19 992440.17525     0.00165
+  -2    9   11   20 Na         6850.489       1.109      7298.5028     0.0554  B- -10627.2054     2.1681   20 007354.301       1.190
+  -4    8   12   20 Mg   +t   17477.694       1.863      6728.0252     0.0931  B-      *                   20 018763.075       2.000
+0 11   16    5   21 B   -nn   78382.887     558.664      4152.5265    26.6031  B-  32740#       817#       21 084147.485     599.750
+   9   15    6   21 C     x   45643#        596#         5674#        28#      B-  20411#       611#       21 049000#        640#
+   7   14    7   21 N     x   25231.915     134.048      6609.0159     6.3832  B-  17169.8816   134.5840   21 027087.573     143.906
+   5   13    8   21 O   -3n    8062.034      12.000      7389.3747     0.5714  B-   8109.6390    12.1342   21 008654.948      12.882
+   3   12    9   21 F   -nn     -47.605       1.800      7738.2934     0.0857  B-   5684.1712     1.8004   20 999948.893       1.932
+   1   11   10   21 Ne        -5731.776       0.038      7971.7136     0.0018  B-  -3546.9190     0.0177   20 993846.685       0.041
+  -1   10   11   21 Na        -2184.857       0.042      7765.5581     0.0020  B- -13088.7080     0.7557   20 997654.459       0.045
+  -3    9   12   21 Mg    x   10903.851       0.755      7105.0317     0.0359  B- -16186#       600#       21 011705.764       0.810
+  -5    8   13   21 Al    x   27090#        600#         6297#        29#      B-      *                   21 029082#        644#
+0 10   16    6   22 C   -nn   53611.203     231.490      5421.0778    10.5223  B-  21846.3983   311.0627   22 057553.990     248.515
+   8   15    7   22 N     x   31764.805     207.779      6378.5347     9.4445  B-  22481.7725   215.4350   22 034100.918     223.060
+   6   14    8   22 O   -4n    9283.032      56.921      7364.8722     2.5873  B-   6489.6562    58.2558   22 009965.744      61.107
+   4   13    9   22 F     +    2793.376      12.399      7624.2954     0.5636  B-  10818.0916    12.3990   22 002998.812      13.310
+   2   12   10   22 Ne        -8024.716       0.018      8080.4656     0.0008  B-  -2843.3243     0.1325   21 991385.113       0.018
+   0   11   11   22 Na        -5181.391       0.132      7915.6624     0.0060  B-  -4781.4051     0.1631   21 994437.547       0.141
+  -2   10   12   22 Mg         -399.986       0.159      7662.7645     0.0072  B- -18601#       401#       21 999570.597       0.170
+  -4    9   13   22 Al    x   18201#        401#         6782#        18#      B- -15439#       641#       22 019540#        430#
+  -6    8   14   22 Si    x   33640#        500#         6044#        23#      B-      *                   22 036114#        537#
+0 11   17    6   23 C     x   64171#        997#         5077#        43#      B-  27450#      1082#       23 068890#       1070#
+   9   16    7   23 N     x   36720.429     420.570      6236.6721    18.2856  B-  22099.0584   437.8271   23 039421.000     451.500
+   7   15    8   23 O     x   14621.371     121.712      7163.4856     5.2918  B-  11336.1072   126.1904   23 015696.686     130.663
+   5   14    9   23 F          3285.263      33.320      7622.3447     1.4487  B-   8439.3084    33.3206   23 003526.875      35.770
+   3   13   10   23 Ne   -n   -5154.045       0.104      7955.2561     0.0045  B-   4375.8085     0.1044   22 994466.905       0.112
+   1   12   11   23 Na        -9529.85352     0.00181    8111.4936     0.0002  B-  -4056.1790     0.0317   22 989769.28195     0.00194
+  -1   11   12   23 Mg    -   -5473.675       0.032      7901.1229     0.0014  B- -12221.7457     0.3461   22 994123.768       0.034
+  -3   10   13   23 Al   --    6748.071       0.345      7335.7275     0.0150  B- -17202#       500#       23 007244.351       0.370
+  -5    9   14   23 Si    x   23950#        500#         6554#        22#      B-      *                   23 025711#        537#
+0 10   17    7   24 N     x   46938#        401#         5887#        17#      B-  28438#       433#       24 050390#        430#
+   8   16    8   24 O     x   18500.404     164.874      7039.6855     6.8698  B-  10955.8885   191.6327   24 019861.000     177.000
+   6   15    9   24 F     x    7544.516      97.670      7463.5831     4.0696  B-  13496.1583    97.6717   24 008099.370     104.853
+   4   14   10   24 Ne  -nn   -5951.642       0.513      7993.3252     0.0214  B-   2466.2583     0.5130   23 993610.649       0.550
+   2   13   11   24 Na   -n   -8417.901       0.017      8063.4882     0.0007  B-   5515.6774     0.0210   23 990963.012       0.017
+   0   12   12   24 Mg       -13933.578       0.013      8260.7103     0.0006  B- -13884.7660     0.2282   23 985041.689       0.013
+  -2   11   13   24 Al          -48.812       0.228      7649.5806     0.0095  B- -10793.9978    19.4734   23 999947.598       0.244
+  -4   10   14   24 Si   --   10745.186      19.472      7167.2329     0.8113  B- -23275#       501#       24 011535.430      20.904
+  -6    9   15   24 P     x   34020#        500#         6165#        21#      B-      *                   24 036522#        537#
+0 11   18    7   25 N     x   55983#        503#         5613#        20#      B-  28654#       529#       25 060100#        540#
+   9   17    8   25 O    -n   27329.030     165.084      6727.8058     6.6034  B-  15994.8633   191.1909   25 029338.919     177.225
+   7   16    9   25 F     x   11334.167      96.442      7336.3065     3.8577  B-  13369.6698   100.7212   25 012167.727     103.535
+   5   15   10   25 Ne        -2035.503      29.045      7839.7994     1.1618  B-   7322.3107    29.0701   24 997814.797      31.181
+   3   14   11   25 Na  -nn   -9357.814       1.200      8101.3979     0.0480  B-   3834.9684     1.2009   24 989953.974       1.288
+   1   13   12   25 Mg       -13192.782       0.047      8223.5028     0.0019  B-  -4276.8080     0.0447   24 985836.966       0.050
+  -1   12   13   25 Al        -8915.974       0.065      8021.1366     0.0026  B- -12743.2956    10.0002   24 990428.308       0.069
+  -3   11   14   25 Si  +3n    3827.322      10.000      7480.1109     0.4000  B- -16363#       400#       25 004108.798      10.735
+  -5   10   15   25 P     x   20190#        400#         6794#        16#      B-      *                   25 021675#        429#
+0 10   18    8   26 O   -nn   34661.041     164.950      6497.4790     6.3442  B-  15986.3855   196.6301   26 037210.155     177.081
+   8   17    9   26 F         18674.655     107.027      7082.2497     4.1164  B-  18193.5414   108.6022   26 020048.065     114.898
+   6   16   10   26 Ne    x     481.114      18.429      7751.9110     0.7088  B-   7341.8940    18.7585   26 000516.496      19.784
+   4   15   11   26 Na    x   -6860.780       3.502      8004.2013     0.1347  B-   9353.7631     3.5018   25 992634.649       3.759
+   2   14   12   26 Mg       -16214.544       0.029      8333.8711     0.0011  B-  -4004.4042     0.0629   25 982592.972       0.031
+   0   13   13   26 Al       -12210.139       0.066      8149.7653     0.0026  B-  -5069.1361     0.0849   25 986891.876       0.071
+  -2   12   14   26 Si    -   -7141.003       0.108      7924.7083     0.0041  B- -18114#       196#       25 992333.818       0.115
+  -4   11   15   26 P     x   10973#        196#         7198#         8#      B- -16707#       631#       26 011780#        210#
+  -6   10   16   26 S     x   27680#        600#         6525#        23#      B-      *                   26 029716#        644#
+0 11   19    8   27 O     x   44670#        500#         6185#        19#      B-  19536#       514#       27 047955#        537#
+   9   18    9   27 F         25133.478     120.198      6879.6662     4.4518  B-  18082.5680   150.6211   27 026981.897     129.037
+   7   17   10   27 Ne    x    7050.910      90.770      7520.4151     3.3619  B-  12568.7005    90.8467   27 007569.462      97.445
+   5   16   11   27 Na   ++   -5517.791       3.726      7956.9467     0.1380  B-   9068.8037     3.7266   26 994076.408       4.000
+   3   15   12   27 Mg       -14586.594       0.047      8263.8525     0.0018  B-   2610.2694     0.0669   26 984340.647       0.050
+   1   14   13   27 Al       -17196.864       0.047      8331.5533     0.0018  B-  -4812.3583     0.0964   26 981538.408       0.050
+  -1   13   14   27 Si    -  -12384.505       0.107      8124.3420     0.0040  B- -11725.4730     9.0013   26 986704.687       0.115
+  -3   12   15   27 P    -p    -659.032       9.001      7661.0894     0.3334  B- -18150#       400#       26 999292.499       9.662
+  -5   11   16   27 S     -   17491#        400#         6960#        15#      B-      *                   27 018777#        430#
+0 12   20    8   28 O     x   52080#        699#         5988#        25#      B-  18676#       709#       28 055910#        750#
+  10   19    9   28 F    -n   33403.796     120.347      6626.8567     4.2981  B-  22104.0579   174.2886   28 035860.448     129.198
+   8   18   10   28 Ne    x   11299.738     126.068      7388.3463     4.5024  B-  12288.0534   126.4833   28 012130.767     135.339
+   6   17   11   28 Na    x    -988.315      10.246      7799.2644     0.3659  B-  14031.6303    10.2498   27 998939.000      11.000
+   4   16   12   28 Mg    x  -15019.946       0.261      8272.4531     0.0093  B-   1830.7740     0.2653   27 983875.426       0.280
+   2   15   13   28 Al   -n  -16850.719       0.049      8309.8969     0.0018  B-   4642.0776     0.0486   27 981910.009       0.052
+   0   14   14   28 Si       -21492.79711     0.00051    8447.7445     0.0002  B- -14344.9407     1.1473   27 976926.53442     0.00055
+  -2   13   15   28 P         -7147.856       1.147      7907.4842     0.0410  B- -11221.0593   160.0041   27 992326.460       1.231
+  -4   12   16   28 S    --    4073.203     160.000      7478.7911     5.7143  B- -24197#       525#       28 004372.762     171.767
+  -6   11   17   28 Cl   -p   28270#        500#         6587#        18#      B-      *                   28 030349#        537#
+0 11   20    9   29 F     x   40150.190     525.363      6444.0314    18.1160  B-  21750.3873   546.2212   29 043103.000     564.000
+   9   19   10   29 Ne    x   18399.803     149.505      7167.0673     5.1553  B-  15719.8092   149.6847   29 019753.000     160.500
+   7   18   11   29 Na         2679.994       7.337      7682.1522     0.2530  B-  13292.3538     7.3447   29 002877.091       7.876
+   5   17   12   29 Mg       -10612.360       0.345      8113.5317     0.0119  B-   7595.4023     0.4873   28 988607.163       0.369
+   3   16   13   29 Al    x  -18207.762       0.345      8348.4647     0.0119  B-   3687.3192     0.3447   28 980453.164       0.370
+   1   15   14   29 Si       -21895.08154     0.00056    8448.6361     0.0002  B-  -4942.2325     0.3589   28 976494.66434     0.00060
+  -1   14   15   29 P        -16952.849       0.359      8251.2368     0.0124  B- -13858.4257    13.0459   28 981800.368       0.385
+  -3   13   16   29 S     x   -3094.423      13.041      7746.3826     0.4497  B- -17117#       189#       28 996678.000      14.000
+  -5   12   17   29 Cl   -p   14022#        189#         7129#         7#      B- -23947#       478#       29 015053#        203#
+  -7   11   18   29 Ar  -pp   37969#        439#         6276#        15#      B-      *                   29 040761#        471#
+0 12   21    9   30 F     x   48960#        500#         6205#        17#      B-  25680#       561#       30 052561#        537#
+  10   20   10   30 Ne        23280.120     253.250      7034.5317     8.4417  B-  14805.4501   253.2946   30 024992.235     271.875
+   8   19   11   30 Na         8474.670       4.727      7501.9685     0.1576  B-  17356.0423     4.9011   30 009097.931       5.074
+   6   18   12   30 Mg        -8881.373       1.295      8054.4250     0.0432  B-   6982.7440     2.3287   29 990465.454       1.390
+   4   17   13   30 Al       -15864.116       1.936      8261.1049     0.0645  B-   8568.8459     1.9357   29 982969.171       2.077
+   2   16   14   30 Si   -n  -24432.962       0.022      8520.6549     0.0008  B-  -4232.1065     0.0615   29 973770.137       0.023
+   0   15   15   30 P     -  -20200.856       0.065      8353.5064     0.0022  B-  -6141.6014     0.1956   29 978313.490       0.069
+  -2   14   16   30 S     -  -14059.254       0.206      8122.7081     0.0069  B- -18733.8020    23.8769   29 984906.770       0.221
+  -4   13   17   30 Cl   -p    4674.548      23.876      7472.1698     0.7959  B- -17397#       180#       30 005018.333      25.631
+  -6   12   18   30 Ar  -pp   22071#        179#         6866#         6#      B-      *                   30 023694#        192#
+0 13   22    9   31 F   -nn   56843#        535#         6011#        17#      B-  25661#       597#       31 061023#        574#
+  11   21   10   31 Ne        31181.594     266.195      6813.0902     8.5869  B-  18935.5625   266.5617   31 033474.816     285.772
+   9   20   11   31 Na    x   12246.031      13.972      7398.6778     0.4507  B-  15368.1833    14.3065   31 013146.654      15.000
+   7   19   12   31 Mg    x   -3122.152       3.074      7869.1886     0.0992  B-  11828.5569     3.8009   30 996648.232       3.300
+   5   18   13   31 Al    x  -14950.709       2.236      8225.5180     0.0721  B-   7998.3286     2.2360   30 983949.754       2.400
+   3   17   14   31 Si   -n  -22949.037       0.043      8458.2916     0.0014  B-   1491.5071     0.0434   30 975363.196       0.046
+   1   16   15   31 P        -24440.54442     0.00075    8481.1677     0.0002  B-  -5398.0130     0.2292   30 973761.99768     0.00080
+  -1   15   16   31 S        -19042.531       0.229      8281.8013     0.0074  B- -12007.9790     3.4541   30 979557.002       0.246
+  -3   14   17   31 Cl   --   -7034.552       3.447      7869.2101     0.1112  B- -18360#       200#       30 992448.097       3.700
+  -5   13   18   31 Ar    -   11325#        200#         7252#         6#      B- -22935#       361#       31 012158#        215#
+  -7   12   19   31 K     x   34260#        300#         6487#        10#      B-      *                   31 036780#        322#
+0 12   22   10   32 Ne    x   36999#        503#         6671#        16#      B-  18359#       504#       32 039720#        540#
+  10   21   11   32 Na    x   18640.152      37.260      7219.8815     1.1644  B-  19469.0523    37.4021   32 020011.024      40.000
+   8   20   12   32 Mg    x    -828.901       3.260      7803.8411     0.1019  B-  10270.4677     7.8787   31 999110.138       3.500
+   6   19   13   32 Al    x  -11099.368       7.173      8100.3449     0.2241  B-  12978.3208     7.1787   31 988084.338       7.700
+   4   18   14   32 Si    x  -24077.689       0.298      8481.4690     0.0093  B-    227.1872     0.3008   31 974151.538       0.320
+   2   17   15   32 P    -n  -24304.876       0.040      8464.1203     0.0013  B-   1710.6608     0.0400   31 973907.643       0.042
+   0   16   16   32 S        -26015.53714     0.00131    8493.1301     0.0002  B- -12680.8313     0.5617   31 972071.17354     0.00141
+  -2   15   17   32 Cl       -13334.706       0.562      8072.4058     0.0176  B- -11134.3536     1.8568   31 985684.605       0.603
+  -4   14   18   32 Ar    x   -2200.352       1.770      7700.0089     0.0553  B- -24190#       400#       31 997637.824       1.900
+  -6   13   19   32 K     x   21990#        400#         6920#        12#      B-      *                   32 023607#        429#
+0 13   23   10   33 Ne    x   46130#        600#         6436#        18#      B-  22350#       750#       33 049523#        644#
+  11   22   11   33 Na    x   23780.113     449.912      7089.9262    13.6337  B-  18817.2400   449.9195   33 025529.000     483.000
+   9   21   12   33 Mg         4962.873       2.663      7636.4382     0.0807  B-  13460.2550     7.4767   33 005327.862       2.859
+   7   20   13   33 Al    x   -8497.382       6.986      8020.6172     0.2117  B-  12016.9460     7.0211   32 990877.685       7.500
+   5   19   14   33 Si    x  -20514.328       0.699      8361.0596     0.0212  B-   5823.0223     1.2947   32 977976.964       0.750
+   3   18   15   33 P     +  -26337.350       1.090      8513.8073     0.0330  B-    248.5079     1.0900   32 971725.692       1.170
+   1   17   16   33 S        -26585.85830     0.00134    8497.6304     0.0002  B-  -5582.5182     0.3908   32 971458.90862     0.00144
+  -1   16   17   33 Cl       -21003.340       0.391      8304.7557     0.0118  B- -11619.0452     0.5596   32 977451.988       0.419
+  -3   15   18   33 Ar    x   -9384.295       0.401      7928.9559     0.0121  B- -16925#       200#       32 989925.545       0.430
+  -5   14   19   33 K     x    7540#        200#         7392#         6#      B- -23489#       447#       33 008095#        215#
+  -7   13   20   33 Ca    x   31030#        400#         6657#        12#      B-      *                   33 033312#        429#
+0 14   24   10   34 Ne  -nn   52842#        513#         6287#        15#      B-  21161#       789#       34 056728#        551#
+  12   23   11   34 Na    x   31680.114     599.416      6886.4377    17.6299  B-  23356.7903   599.4561   34 034010.000     643.500
+  10   22   12   34 Mg    x    8323.324       6.893      7550.3919     0.2027  B-  11320.9428     7.2072   34 008935.455       7.400
+   8   21   13   34 Al    x   -2997.619       2.105      7860.3506     0.0619  B-  16994.0653     2.2519   33 996781.924       2.259
+   6   20   14   34 Si    x  -19991.684       0.801      8337.1659     0.0236  B-   4557.0175     1.1395   33 978538.045       0.860
+   4   19   15   34 P     x  -24548.702       0.810      8448.1856     0.0238  B-   5382.9879     0.8116   33 973645.886       0.870
+   2   18   16   34 S        -29931.689       0.045      8583.4986     0.0013  B-  -5491.6037     0.0378   33 967867.011       0.047
+   0   17   17   34 Cl       -24440.086       0.049      8398.9706     0.0014  B-  -6061.7930     0.0631   33 973762.490       0.052
+  -2   16   18   34 Ar       -18378.293       0.078      8197.6724     0.0023  B- -17158#       196#       33 980270.092       0.083
+  -4   15   19   34 K     x   -1220#        196#         7670#         6#      B- -16110#       358#       33 998690#        210#
+  -6   14   20   34 Ca    x   14890#        300#         7173#         9#      B-      *                   34 015985#        322#
+0 13   24   11   35 Na   -n   37831#        670#         6745#        19#      B-  22192#       723#       35 040614#        720#
+  11   23   12   35 Mg    x   15639.786     269.668      7356.2338     7.7048  B-  15863.5156   269.7679   35 016790.000     289.500
+   9   22   13   35 Al    x    -223.730       7.359      7787.1243     0.2103  B-  14167.7504    36.6047   34 999759.816       7.900
+   7   21   14   35 Si 2p-n  -14391.480      35.857      8169.5644     1.0245  B-  10466.3291    35.9049   34 984550.111      38.494
+   5   20   15   35 P    +p  -24857.809       1.866      8446.2496     0.0533  B-   3988.4006     1.8667   34 973314.045       2.003
+   3   19   16   35 S        -28846.210       0.040      8537.8511     0.0012  B-    167.3218     0.0257   34 969032.321       0.043
+   1   18   17   35 Cl       -29013.532       0.035      8520.2790     0.0010  B-  -5966.2429     0.6794   34 968852.694       0.038
+  -1   17   18   35 Ar    -  -23047.289       0.680      8327.4621     0.0194  B- -11874.3955     0.8516   34 975257.719       0.730
+  -3   16   19   35 K    4n  -11172.893       0.512      7965.8409     0.0146  B- -16363#       200#       34 988005.406       0.550
+  -5   15   20   35 Ca    x    5190#        200#         7476#         6#      B- -21910#       447#       35 005572#        215#
+  -7   14   21   35 Sc    x   27100#        400#         6828#        11#      B-      *                   35 029093#        429#
+0 14   25   11   36 Na   -n   45903#        687#         6557#        19#      B-  25523#       974#       36 049279#        737#
+  12   24   12   36 Mg    x   20380.159     690.237      7244.4202    19.1733  B-  14429.7751   706.2429   36 021879.000     741.000
+  10   23   13   36 Al    x    5950.384     149.505      7623.5154     4.1529  B-  18386.5096   165.8510   36 006388.000     160.500
+   8   22   14   36 Si    x  -12436.125      71.797      8112.5199     1.9944  B-   7814.9194    72.9852   35 986649.271      77.077
+   6   21   15   36 P     +  -20251.045      13.114      8307.8692     0.3643  B-  10413.0962    13.1124   35 978259.610      14.078
+   4   20   16   36 S        -30664.141       0.188      8575.3900     0.0052  B-  -1142.1329     0.1893   35 967080.692       0.201
+   2   19   17   36 Cl       -29522.008       0.036      8521.9322     0.0010  B-    709.5343     0.0449   35 968306.822       0.038
+   0   18   18   36 Ar       -30231.542       0.027      8519.9096     0.0008  B- -12814.3607     0.3259   35 967545.106       0.028
+  -2   17   19   36 K        -17417.182       0.325      8142.2233     0.0090  B- -10966.0155    40.0013   35 981301.887       0.349
+  -4   16   20   36 Ca   4n   -6451.166      40.000      7815.8799     1.1111  B- -22601#       303#       35 993074.388      42.941
+  -6   15   21   36 Sc    x   16150#        300#         7166#         8#      B-      *                   36 017338#        322#
+0 15   26   11   37 Na  -nn   53134#        687#         6403#        19#      B-  24923#       980#       37 057042#        737#
+  13   25   12   37 Mg   -n   28211.478     698.947      7055.1115    18.8905  B-  18401.9132   721.8139   37 030286.265     750.350
+  11   24   13   37 Al    x    9809.564     180.244      7531.3160     4.8715  B-  16381.0765   213.1678   37 010531.000     193.500
+   9   23   14   37 Si    x   -6571.512     113.809      7952.9033     3.0759  B-  12424.5003   119.9691   36 992945.191     122.179
+   7   22   15   37 P  p-2n  -18996.012      37.948      8267.5561     1.0256  B-   7900.4135    37.9474   36 979606.942      40.738
+   5   21   16   37 S    -n  -26896.426       0.198      8459.9363     0.0054  B-   4865.1258     0.1965   36 971125.500       0.212
+   3   20   17   37 Cl       -31761.552       0.052      8570.2816     0.0014  B-   -813.8729     0.2000   36 965902.573       0.055
+   1   19   18   37 Ar    -  -30947.679       0.207      8527.1406     0.0056  B-  -6147.4775     0.2270   36 966776.301       0.221
+  -1   18   19   37 K    -p  -24800.201       0.094      8339.8480     0.0025  B- -11664.1314     0.6412   36 973375.890       0.100
+  -3   17   20   37 Ca    x  -13136.070       0.634      8003.4567     0.0171  B- -16916#       300#       36 985897.849       0.680
+  -5   16   21   37 Sc    x    3780#        300#         7525#         8#      B- -21390#       500#       37 004058#        322#
+  -7   15   22   37 Ti    x   25170#        400#         6926#        11#      B-      *                   37 027021#        429#
+0 16   27   11   38 Na   -n   61905#        715#         6216#        19#      B-  27831#       875#       38 066458#        768#
+  14   26   12   38 Mg    x   34074#        503#         6928#        13#      B-  17604#       525#       38 036580#        540#
+  12   25   13   38 Al    x   16470#        150#         7370#         4#      B-  20640#       183#       38 017681#        161#
+  10   24   14   38 Si    x   -4170.299     104.793      7892.8297     2.7577  B-  10451.2656   127.4736   37 995523.000     112.500
+   8   23   15   38 P     x  -14621.565      72.581      8147.2749     1.9100  B-  12239.6512    72.9340   37 984303.105      77.918
+   6   22   16   38 S     +  -26861.216       7.172      8448.7829     0.1887  B-   2936.9000     7.1714   37 971163.300       7.699
+   4   21   17   38 Cl   -n  -29798.116       0.098      8505.4817     0.0026  B-   4916.7109     0.2182   37 968010.408       0.105
+   2   20   18   38 Ar       -34714.827       0.195      8614.2807     0.0051  B-  -5914.0671     0.0448   37 962732.102       0.209
+   0   19   19   38 K        -28800.760       0.195      8438.0593     0.0051  B-  -6742.2563     0.0626   37 969081.114       0.209
+  -2   18   20   38 Ca       -22058.503       0.194      8240.0434     0.0051  B- -17809#       200#       37 976319.223       0.208
+  -4   17   21   38 Sc    x   -4249#        200#         7751#         5#      B- -15619#       361#       37 995438#        215#
+  -6   16   22   38 Ti    x   11370#        300#         7319#         8#      B-      *                   38 012206#        322#
+0 17   28   11   39 Na   -n   69977#        743#         6056#        19#      B-  27201#       903#       39 075123#        797#
+  15   27   12   39 Mg   -n   42775#        513#         6734#        13#      B-  21286#       594#       39 045921#        551#
+  13   26   13   39 Al    x   21490#        300#         7260#         8#      B-  19169#       329#       39 023070#        322#
+  11   25   14   39 Si    x    2320.352     135.532      7730.9793     3.4752  B-  15094.9874   176.2324   39 002491.000     145.500
+   9   24   15   39 P     x  -12774.636     112.645      8097.9701     2.8883  B-  10388.0361   123.2430   38 986285.865     120.929
+   7   23   16   39 S  2p-n  -23162.672      50.000      8344.2698     1.2821  B-   6637.5463    50.0300   38 975133.850      53.677
+   5   22   17   39 Cl  -nn  -29800.218       1.732      8494.4032     0.0444  B-   3441.9774     5.2915   38 968008.151       1.859
+   3   21   18   39 Ar    +  -33242.195       5.000      8562.5988     0.1282  B-    565.0000     5.0000   38 964313.037       5.367
+   1   20   19   39 K        -33807.19535     0.00456    8557.0258     0.0003  B-  -6524.4888     0.5962   38 963706.48482     0.00489
+  -1   19   20   39 Ca       -27282.707       0.596      8369.6711     0.0153  B- -13109.9804    24.0074   38 970710.811       0.640
+  -3   18   21   39 Sc 2n-p  -14172.726      24.000      8013.4575     0.6154  B- -16673#       202#       38 984784.953      25.765
+  -5   17   22   39 Ti    x    2500#        200#         7566#         5#      B- -20070#       447#       39 002684#        215#
+  -7   16   23   39 V     x   22570#        400#         7031#        10#      B-      *                   39 024230#        429#
+0 16   28   12   40 Mg    x   49550#        500#         6598#        13#      B-  20729#       583#       40 053194#        537#
+  14   27   13   40 Al    x   28820#        300#         7097#         7#      B-  23154#       324#       40 030940#        322#
+  12   26   14   40 Si    x    5666.876     121.991      7655.8247     3.0498  B-  13806.0653   147.8912   40 006083.641     130.962
+  10   25   15   40 P     x   -8139.189      83.607      7981.4177     2.0902  B-  14698.6603    83.7017   39 991262.221      89.755
+   8   24   16   40 S        -22837.850       3.982      8329.3255     0.0996  B-   4719.9687    32.3118   39 975482.561       4.274
+   6   23   17   40 Cl    +  -27557.818      32.066      8427.7660     0.8016  B-   7482.0816    32.0655   39 970415.466      34.423
+   4   22   18   40 Ar       -35039.89997     0.00218    8595.2594     0.0002  B-  -1504.4031     0.0559   39 962383.12204     0.00234
+   2   21   19   40 K        -33535.497       0.056      8538.0907     0.0014  B-   1310.9051     0.0596   39 963998.165       0.060
+   0   20   20   40 Ca       -34846.402       0.020      8551.3046     0.0006  B- -14323.0493     2.8281   39 962590.850       0.022
+  -2   19   21   40 Sc    -  -20523.353       2.828      8173.6697     0.0707  B- -11529.9139    68.3023   39 977967.275       3.036
+  -4   18   22   40 Ti        -8993.439      68.244      7865.8632     1.7061  B- -21463#       308#       39 990345.146      73.262
+  -6   17   23   40 V     x   12470#        300#         7310#         7#      B-      *                   40 013387#        322#
+0 17   29   12   41 Mg    x   58100#        500#         6425#        12#      B-  23510#       640#       41 062373#        537#
+  15   28   13   41 Al    x   34590#        400#         6980#        10#      B-  21390#       500#       41 037134#        429#
+  13   27   14   41 Si    x   13200#        300#         7482#         7#      B-  18180#       323#       41 014171#        322#
+  11   26   15   41 P     x   -4979.767     120.163      7906.5513     2.9308  B-  14028.8125   120.2326   40 994654.000     129.000
+   9   25   16   41 S     x  -19008.580       4.099      8229.6358     0.1000  B-   8298.6116    68.8456   40 979593.451       4.400
+   7   24   17   41 Cl    x  -27307.192      68.723      8412.9593     1.6762  B-   5760.3180    68.7243   40 970684.525      73.777
+   5   23   18   41 Ar   -n  -33067.510       0.347      8534.3733     0.0085  B-   2492.0392     0.3473   40 964500.570       0.372
+   3   22   19   41 K        -35559.54880     0.00376    8576.0731     0.0003  B-   -421.6406     0.1377   40 961825.25611     0.00403
+   1   21   20   41 Ca       -35137.908       0.138      8546.7075     0.0034  B-  -6495.5482     0.1553   40 962277.905       0.147
+  -1   20   21   41 Sc       -28642.360       0.077      8369.1979     0.0019  B- -12944.8214    27.9449   40 969251.163       0.083
+  -3   19   22   41 Ti    x  -15697.539      27.945      8034.3889     0.6816  B- -16008#       202#       40 983148.000      30.000
+  -5   18   23   41 V     x     310#        200#         7625#         5#      B- -20100#       447#       41 000333#        215#
+  -7   17   24   41 Cr    x   20410#        400#         7116#        10#      B-      *                   41 021911#        429#
+0 16   29   13   42 Al    x   41990#        500#         6829#        12#      B-  25150#       583#       42 045078#        537#
+  14   28   14   42 Si    x   16840#        300#         7410#         7#      B-  15748#       315#       42 018078#        322#
+  12   27   15   42 P     x    1091.842      95.009      7765.9122     2.2621  B-  18729.5899    95.0504   42 001172.140     101.996
+  10   26   16   42 S     x  -17637.748       2.794      8193.2275     0.0665  B-   7194.0221    59.6811   41 981065.100       3.000
+   8   25   17   42 Cl    x  -24831.770      59.616      8345.8864     1.4194  B-   9590.9082    59.8947   41 973342.000      64.000
+   6   24   18   42 Ar    x  -34422.678       5.775      8555.6141     0.1375  B-    599.3527     5.7763   41 963045.737       6.200
+   4   23   19   42 K    -n  -35022.031       0.106      8551.2571     0.0025  B-   3525.2626     0.1825   41 962402.305       0.113
+   2   22   20   42 Ca       -38547.293       0.148      8616.5646     0.0035  B-  -6426.2904     0.0485   41 958617.780       0.159
+   0   21   21   42 Sc       -32121.003       0.154      8444.9303     0.0037  B-  -7016.6496     0.2239   41 965516.686       0.165
+  -2   20   22   42 Ti       -25104.353       0.269      8259.2400     0.0064  B- -17485#       196#       41 973049.369       0.289
+  -4   19   23   42 V     x   -7620#        196#         7824#         5#      B- -14679#       358#       41 991820#        210#
+  -6   18   24   42 Cr    x    7060#        300#         7456#         7#      B-      *                   42 007579#        322#
+0 17   30   13   43 Al    x   48270#        600#         6712#        14#      B-  23940#       721#       43 051820#        644#
+  15   29   14   43 Si    x   24330#        400#         7251#         9#      B-  19289#       500#       43 026119#        429#
+  13   28   15   43 P     x    5040#        300#         7681#         7#      B-  17236#       300#       43 005411#        322#
+  11   27   16   43 S     x  -12195.461       4.970      8063.8276     0.1156  B-  11964.0500    62.0579   42 986907.635       5.335
+   9   26   17   43 Cl    x  -24159.510      61.859      8323.8672     1.4386  B-   7850.3002    62.0860   42 974063.700      66.407
+   7   25   18   43 Ar    x  -32009.811       5.310      8488.2382     0.1235  B-   4565.5836     5.3254   42 965636.056       5.700
+   5   24   19   43 K   -4n  -36575.394       0.410      8576.2204     0.0095  B-   1833.4783     0.4687   42 960734.701       0.440
+   3   23   20   43 Ca       -38408.873       0.227      8600.6653     0.0053  B-  -2220.7227     1.8650   42 958766.381       0.244
+   1   22   21   43 Sc   -p  -36188.150       1.863      8530.8265     0.0433  B-  -6872.5591     6.0147   42 961150.425       1.999
+  -1   21   22   43 Ti       -29315.591       5.719      8352.8054     0.1330  B- -11399.2333    43.2287   42 968528.420       6.139
+  -3   20   23   43 V     x  -17916.358      42.849      8069.5129     0.9965  B- -15946#       205#       42 980766.000      46.000
+  -5   19   24   43 Cr    x   -1970#        200#         7680#         5#      B- -19340#       447#       42 997885#        215#
+  -7   18   25   43 Mn    x   17370#        400#         7213#         9#      B-      *                   43 018647#        429#
+0 16   30   14   44 Si    x   29310#        500#         7156#        11#      B-  18200#       640#       44 031466#        537#
+  14   29   15   44 P     x   11110#        400#         7552#         9#      B-  20314#       400#       44 011927#        429#
+  12   28   16   44 S     x   -9204.236       5.216      7996.0154     0.1186  B-  11274.7373    85.7253   43 990118.846       5.600
+  10   27   17   44 Cl    x  -20478.973      85.566      8234.4788     1.9447  B-  12194.2869    85.5811   43 978014.918      91.859
+   8   26   18   44 Ar    x  -32673.260       1.584      8493.8411     0.0360  B-   3108.2375     1.6381   43 964923.814       1.700
+   6   25   19   44 K     x  -35781.498       0.419      8546.7023     0.0095  B-   5687.2319     0.5303   43 961586.984       0.450
+   4   24   20   44 Ca       -41468.730       0.325      8658.1769     0.0074  B-  -3652.6948     1.7565   43 955481.489       0.348
+   2   23   21   44 Sc   -p  -37816.035       1.756      8557.3805     0.0399  B-   -267.4488     1.8899   43 959402.818       1.884
+   0   22   22   44 Ti   -a  -37548.586       0.700      8533.5215     0.0159  B- -13740.5071     7.2986   43 959689.936       0.751
+  -2   21   23   44 V        -23808.079       7.265      8203.4567     0.1651  B- -10386.1805    51.7447   43 974440.977       7.799
+  -4   20   24   44 Cr    x  -13421.899      51.232      7949.6265     1.1644  B- -20882#       304#       43 985591.000      55.000
+  -6   19   25   44 Mn    x    7460#        300#         7457#         7#      B-      *                   44 008009#        322#
+0 17   31   14   45 Si    x   37090#        600#         7004#        13#      B-  21130#       781#       45 039818#        644#
+  15   30   15   45 P     x   15960#        500#         7456#        11#      B-  19301#       583#       45 017134#        537#
+  13   29   16   45 S     x   -3340#        300#         7867#         7#      B-  14922#       329#       44 996414#        322#
+  11   28   17   45 Cl    x  -18262.544     136.163      8181.5991     3.0259  B-  11508.2568   136.1643   44 980394.353     146.177
+   9   27   18   45 Ar    x  -29770.801       0.512      8419.9526     0.0114  B-   6844.8422     0.7311   44 968039.731       0.550
+   7   26   19   45 K     x  -36615.643       0.522      8554.6747     0.0116  B-   4196.5868     0.6369   44 960691.491       0.560
+   5   25   20   45 Ca       -40812.230       0.365      8630.5467     0.0081  B-    260.0910     0.7377   44 956186.270       0.392
+   3   24   21   45 Sc       -41072.321       0.663      8618.9410     0.0147  B-  -2062.0551     0.5086   44 955907.051       0.712
+   1   23   22   45 Ti       -39010.266       0.836      8555.7321     0.0186  B-  -7123.8247     0.2142   44 958120.758       0.897
+  -1   22   23   45 V        -31886.441       0.863      8380.0394     0.0192  B- -12371.6400    35.4073   44 965768.498       0.926
+  -3   21   24   45 Cr    x  -19514.801      35.397      8087.7286     0.7866  B- -14535#       302#       44 979050.000      38.000
+  -5   20   25   45 Mn    x   -4980#        300#         7747#         7#      B- -19388#       412#       44 994654#        322#
+  -7   19   26   45 Fe  -pp   14408#        283#         7299#         6#      B-      *                   45 015467#        304#
+0 16   31   15   46 P     x   22840#        500#         7320#        11#      B-  22200#       640#       46 024520#        537#
+  14   30   16   46 S     x     640#        400#         7785#         9#      B-  14375#       411#       46 000687#        429#
+  12   29   17   46 Cl    x  -13734.949      97.249      8080.7757     2.1141  B-  16036.3062    97.2766   45 985254.926     104.400
+  10   28   18   46 Ar    x  -29771.255       2.329      8412.3835     0.0506  B-   5642.6746     2.4394   45 968039.244       2.500
+   8   27   19   46 K     x  -35413.929       0.727      8518.0428     0.0158  B-   7725.6802     2.3490   45 961981.584       0.780
+   6   26   20   46 Ca       -43139.610       2.234      8668.9848     0.0486  B-  -1377.9665     2.3305   45 953687.726       2.398
+   4   25   21   46 Sc   -n  -41761.643       0.671      8622.0215     0.0146  B-   2366.6260     0.6666   45 955167.034       0.720
+   2   24   22   46 Ti       -44128.269       0.090      8656.4623     0.0020  B-  -7052.3723     0.0923   45 952626.356       0.097
+   0   23   23   46 V        -37075.897       0.134      8486.1423     0.0029  B-  -7604.3264    11.4538   45 960197.389       0.143
+  -2   22   24   46 Cr       -29471.570      11.453      8303.8233     0.2490  B- -17053.8226    87.3828   45 968360.969      12.295
+  -4   21   25   46 Mn    x  -12417.748      86.629      7916.0805     1.8832  B- -13628#       312#       45 986669.000      93.000
+  -6   20   26   46 Fe    x    1210#        300#         7603#         7#      B-      *                   46 001299#        322#
+0 17   32   15   47 P     x   28810#        600#         7209#        13#      B-  21610#       721#       47 030929#        644#
+  15   31   16   47 S     x    7200#        400#         7652#         9#      B-  16781#       447#       47 007730#        429#
+  13   30   17   47 Cl    x   -9580#        200#         7992#         4#      B-  15787#       200#       46 989715#        215#
+  11   29   18   47 Ar    x  -25367.274       1.211      8311.4250     0.0258  B-  10344.7078     1.8490   46 972767.112       1.300
+   9   28   19   47 K     x  -35711.982       1.397      8514.8795     0.0297  B-   6632.6837     2.6237   46 961661.612       1.500
+   7   27   20   47 Ca       -42344.665       2.221      8639.3548     0.0473  B-   1992.1770     1.1849   46 954541.134       2.384
+   5   26   21   47 Sc       -44336.842       1.931      8665.0958     0.0411  B-    600.7694     1.9292   46 952402.444       2.072
+   3   25   22   47 Ti       -44937.612       0.080      8661.2325     0.0017  B-  -2930.5422     0.0879   46 951757.491       0.085
+   1   24   23   47 V        -42007.070       0.110      8582.2348     0.0024  B-  -7443.9769     5.1976   46 954903.558       0.118
+  -1   23   24   47 Cr       -34563.093       5.197      8407.2067     0.1106  B- -11996.7167    32.0943   46 962894.995       5.578
+  -3   22   25   47 Mn    x  -22566.376      31.671      8135.3117     0.6738  B- -15437#       501#       46 975774.000      34.000
+  -5   21   26   47 Fe    x   -7130#        500#         7790#        11#      B- -17750#       781#       46 992346#        537#
+  -7   20   27   47 Co    x   10620#        600#         7396#        13#      B-      *                   47 011401#        644#
+0 16   32   16   48 S     x   12390#        500#         7552#        10#      B-  16670#       707#       48 013301#        537#
+  14   31   17   48 Cl    x   -4280#        500#         7883#        10#      B-  18075#       500#       47 995405#        537#
+  12   30   18   48 Ar    x  -22354.927      16.767      8243.6656     0.3493  B-   9929.5550    16.7847   47 976001.000      18.000
+  10   29   19   48 K     x  -32284.482       0.773      8434.2324     0.0161  B-  11940.3857     0.7734   47 965341.184       0.830
+   8   28   20   48 Ca       -44224.868       0.018      8666.6916     0.0004  B-    279.2155     4.9499   47 952522.654       0.018
+   6   27   21   48 Sc       -44504.083       4.950      8656.2097     0.1031  B-   3988.8685     4.9499   47 952222.903       5.313
+   4   26   22   48 Ti       -48492.952       0.074      8723.0122     0.0016  B-  -4014.9467     0.9691   47 947940.677       0.079
+   2   25   23   48 V        -44478.005       0.972      8623.0686     0.0202  B-  -1656.6918     7.3746   47 952250.900       1.043
+   0   24   24   48 Cr  +nn  -42821.313       7.311      8572.2553     0.1523  B- -13524.6692     9.9157   47 954029.431       7.848
+  -2   23   25   48 Mn       -29296.644       6.699      8274.1924     0.1396  B- -11288.0685    92.4609   47 968548.760       7.191
+  -4   22   26   48 Fe    x  -18008.575      92.218      8022.7254     1.9212  B- -19738#       509#       47 980667.000      99.000
+  -6   21   27   48 Co    x    1730#        500#         7595#        10#      B- -16448#       656#       48 001857#        537#
+  -8   20   28   48 Ni  -pp   18178#        424#         7236#         9#      B-      *                   48 019515#        455#
+0 17   33   16   49 S    -n   20391#        583#         7400#        12#      B-  19652#       707#       49 021891#        626#
+  15   32   17   49 Cl    x     740#        400#         7785#         8#      B-  17800#       565#       49 000794#        429#
+  13   31   18   49 Ar    x  -17060#        400#         8132#         8#      B-  12551#       400#       48 981685#        429#
+  11   30   19   49 K     x  -29611.496       0.801      8372.2753     0.0164  B-  11688.5069     0.8205   48 968210.753       0.860
+   9   29   20   49 Ca   -n  -41300.003       0.178      8594.8500     0.0036  B-   5262.4445     2.2745   48 955662.625       0.190
+   7   28   21   49 Sc       -46562.447       2.268      8686.2805     0.0463  B-   2001.5652     2.2684   48 950013.159       2.434
+   5   27   22   49 Ti       -48564.012       0.078      8711.1625     0.0016  B-   -601.8555     0.8203   48 947864.391       0.084
+   3   26   23   49 V     -  -47962.157       0.824      8682.9135     0.0168  B-  -2629.8047     2.3487   48 948510.509       0.884
+   1   25   24   49 Cr       -45332.352       2.202      8613.2777     0.0449  B-  -7712.4265     0.2329   48 951333.720       2.363
+  -1   24   25   49 Mn       -37619.925       2.214      8439.9150     0.0452  B- -12869.1957    24.3199   48 959613.350       2.377
+  -3   23   26   49 Fe    x  -24750.730      24.219      8161.3121     0.4943  B- -14971#       501#       48 973429.000      26.000
+  -5   22   27   49 Co    x   -9780#        500#         7840#        10#      B- -18309#       781#       48 989501#        537#
+  -7   21   28   49 Ni    x    8530#        600#         7450#        12#      B-      *                   49 009157#        644#
+0 16   33   17   50 Cl    x    7700#        400#         7651#         8#      B-  20930#       640#       50 008266#        429#
+  14   32   18   50 Ar    x  -13230#        500#         8054#        10#      B-  12498#       500#       49 985797#        537#
+  12   31   19   50 K     x  -25727.853       7.731      8288.5833     0.1546  B-  13861.3774     7.8919   49 972380.015       8.300
+  10   30   20   50 Ca    x  -39589.230       1.584      8550.1639     0.0317  B-   4947.8903     2.9723   49 957499.215       1.700
+   8   29   21   50 Sc       -44537.120       2.515      8633.4747     0.0503  B-   6894.7470     2.5166   49 952187.437       2.700
+   6   28   22   50 Ti       -51431.867       0.082      8755.7227     0.0017  B-  -2208.6274     0.0579   49 944785.622       0.088
+   4   27   23   50 V        -49223.240       0.093      8695.9032     0.0019  B-   1038.1240     0.0551   49 947156.681       0.099
+   2   26   24   50 Cr       -50261.364       0.094      8701.0188     0.0019  B-  -7634.4776     0.0672   49 946042.209       0.100
+   0   25   25   50 Mn       -42626.886       0.115      8532.6823     0.0023  B-  -8150.4267     8.3842   49 954238.157       0.123
+  -2   24   26   50 Fe    x  -34476.460       8.383      8354.0268     0.1677  B- -16887.0566   126.0308   49 962988.000       9.000
+  -4   23   27   50 Co    x  -17589.403     125.752      8000.6387     2.5150  B- -14130#       516#       49 981117.000     135.000
+  -6   22   28   50 Ni    x   -3460#        500#         7702#        10#      B-      *                   49 996286#        537#
+0 17   34   17   51 Cl    x   14290#        700#         7530#        14#      B-  20780#       806#       51 015341#        751#
+  15   33   18   51 Ar    x   -6490#        400#         7922#         8#      B-  16026#       400#       50 993033#        429#
+  13   32   19   51 K     x  -22515.457      13.041      8221.3350     0.2557  B-  13816.8529    13.0517   50 975828.664      14.000
+  11   31   20   51 Ca    x  -36332.310       0.522      8476.9135     0.0102  B-   6918.0432     2.5686   50 960995.663       0.560
+   9   30   21   51 Sc       -43250.353       2.515      8597.2213     0.0493  B-   6482.6122     2.5612   50 953568.838       2.700
+   7   29   22   51 Ti       -49732.965       0.484      8708.9912     0.0095  B-   2470.1402     0.4820   50 946609.468       0.519
+   5   28   23   51 V        -52203.105       0.097      8742.0852     0.0019  B-   -752.3907     0.1494   50 943957.664       0.104
+   3   27   24   51 Cr       -51450.715       0.167      8711.9923     0.0033  B-  -3207.4893     0.3256   50 944765.388       0.178
+   1   26   25   51 Mn       -48243.225       0.304      8633.7602     0.0060  B-  -8054.0400     1.4309   50 948208.770       0.326
+  -1   25   26   51 Fe    x  -40189.185       1.398      8460.4977     0.0274  B- -12847.0389    48.4579   50 956855.137       1.501
+  -3   24   27   51 Co    x  -27342.146      48.438      8193.2549     0.9498  B- -15692#       503#       50 970647.000      52.000
+  -5   23   28   51 Ni    x  -11650#        500#         7870#        10#      B-      *                   50 987493#        537#
+0 18   35   17   52 Cl    x   22360#        700#         7386#        13#      B-  23739#       922#       52 024004#        751#
+  16   34   18   52 Ar    x   -1380#        600#         7827#        12#      B-  15758#       601#       51 998519#        644#
+  14   33   19   52 K     x  -17137.628      33.534      8115.0303     0.6449  B-  17128.6431    33.5405   51 981602.000      36.000
+  12   32   20   52 Ca    x  -34266.272       0.671      8429.3821     0.0129  B-   6257.2889     3.1463   51 963213.646       0.720
+  10   31   21   52 Sc       -40523.560       3.074      8534.6695     0.0591  B-   8954.1372     4.1223   51 956496.170       3.300
+   8   30   22   52 Ti       -49477.698       2.747      8691.8193     0.0528  B-   1965.3340     2.7510   51 946883.509       2.948
+   6   29   23   52 V    -n  -51443.032       0.159      8714.5690     0.0031  B-   3976.4763     0.1601   51 944773.636       0.170
+   4   28   24   52 Cr       -55419.508       0.112      8775.9946     0.0022  B-  -4708.1214     0.0633   51 940504.714       0.120
+   2   27   25   52 Mn    -  -50711.387       0.129      8670.4087     0.0025  B-  -2379.2912     0.1534   51 945559.090       0.138
+   0   26   26   52 Fe   --  -48332.095       0.179      8609.6079     0.0035  B- -13988.1167     5.2831   51 948113.364       0.192
+  -2   25   27   52 Co       -34343.979       5.282      8325.5606     0.1016  B- -11784.1230    83.0710   51 963130.224       5.669
+  -4   24   28   52 Ni    x  -22559.856      82.903      8083.8977     1.5943  B- -20680#       606#       51 975781.000      89.000
+  -6   23   29   52 Cu    x   -1880#        600#         7671#        12#      B-      *                   51 997982#        644#
+0 17   35   18   53 Ar    x    6791#        699#         7677#        13#      B-  19086#       708#       53 007290#        750#
+  15   34   19   53 K     x  -12295.722     111.779      8022.8488     2.1090  B-  17091.9853   120.0471   52 986800.000     120.000
+  13   33   20   53 Ca    x  -29387.707      43.780      8330.5778     0.8260  B-   9381.8471    47.2223   52 968451.000      47.000
+  11   32   21   53 Sc       -38769.555      17.698      8492.8325     0.3339  B-   8111.8785    17.9325   52 958379.173      19.000
+   9   31   22   53 Ti    x  -46881.433       2.888      8631.1256     0.0545  B-   4970.2419     4.2386   52 949670.714       3.100
+   7   30   23   53 V    +p  -51851.675       3.103      8710.1425     0.0585  B-   3435.9426     3.1017   52 944334.940       3.331
+   5   29   24   53 Cr       -55287.618       0.116      8760.2103     0.0022  B-   -597.2679     0.3430   52 940646.304       0.124
+   3   28   25   53 Mn       -54690.350       0.346      8734.1798     0.0065  B-  -3742.8664     1.6971   52 941287.497       0.371
+   1   27   26   53 Fe       -50947.483       1.669      8648.7985     0.0315  B-  -8288.1073     0.4431   52 945305.629       1.792
+  -1   26   27   53 Co       -42659.376       1.727      8477.6578     0.0326  B- -13028.5485    25.2096   52 954203.278       1.854
+  -3   25   28   53 Ni    x  -29630.827      25.150      8217.0749     0.4745  B- -16491#       501#       52 968190.000      27.000
+  -5   24   29   53 Cu    x  -13140#        500#         7891#         9#      B-      *                   52 985894#        537#
+0 18   36   18   54 Ar    x   12560#        800#         7578#        15#      B-  17710#       894#       54 013484#        859#
+  16   35   19   54 K     x   -5150#        400#         7891#         7#      B-  20010#       403#       53 994471#        429#
+  14   34   20   54 Ca    x  -25160.587      48.438      8247.4967     0.8970  B-   9277.3463    50.4129   53 972989.000      52.000
+  12   33   21   54 Sc    x  -34437.934      13.973      8404.8115     0.2588  B-  11305.8789    21.1188   53 963029.359      15.000
+  10   32   22   54 Ti    x  -45743.812      15.835      8599.6917     0.2932  B-   4154.4548    19.3840   53 950892.000      17.000
+   8   31   23   54 V        -49898.267      11.180      8662.1382     0.2070  B-   7037.1118    11.1794   53 946432.009      12.001
+   6   30   24   54 Cr       -56935.379       0.132      8777.9672     0.0025  B-  -1377.1325     1.0051   53 938877.359       0.142
+   4   29   25   54 Mn   -p  -55558.247       1.007      8737.9768     0.0186  B-    696.3688     1.0587   53 940355.772       1.080
+   2   28   26   54 Fe       -56254.615       0.343      8736.3846     0.0064  B-  -8244.5478     0.0893   53 939608.189       0.368
+   0   27   27   54 Co       -48010.068       0.355      8569.2199     0.0066  B-  -8731.7558     4.6710   53 948459.075       0.380
+  -2   26   28   54 Ni    x  -39278.312       4.657      8393.0328     0.0862  B- -18038#       400#       53 957833.000       5.000
+  -4   25   29   54 Cu    x  -21240#        400#         8045#         7#      B- -15538#       454#       53 977198#        429#
+  -6   24   30   54 Zn  -pp   -5702#        217#         7742#         4#      B-      *                   53 993879#        232#
+0 17   36   19   55 K     x     470#        500#         7792#         9#      B-  19121#       525#       55 000505#        537#
+  15   35   20   55 Ca    x  -18650.375     160.217      8125.9260     2.9130  B-  12191.7329   171.9435   54 979978.000     172.000
+  13   34   21   55 Sc    x  -30842.108      62.411      8333.3694     1.1347  B-  10990.3608    68.7671   54 966889.637      67.000
+  11   33   22   55 Ti    x  -41832.469      28.876      8518.9696     0.5250  B-   7292.6673    39.5419   54 955091.000      31.000
+   9   32   23   55 V     x  -49125.136      27.013      8637.3391     0.4912  B-   5985.1877    27.0143   54 947262.000      29.000
+   7   31   24   55 Cr   -n  -55110.324       0.228      8731.9362     0.0042  B-   2602.2183     0.3219   54 940836.637       0.245
+   5   30   25   55 Mn       -57712.542       0.260      8765.0247     0.0047  B-   -231.1204     0.1786   54 938043.040       0.279
+   3   29   26   55 Fe       -57481.422       0.308      8746.5981     0.0056  B-  -3451.4254     0.3241   54 938291.158       0.330
+   1   28   27   55 Co       -54029.996       0.405      8669.6204     0.0074  B-  -8694.0350     0.5775   54 941996.416       0.434
+  -1   27   28   55 Ni    -  -45335.961       0.705      8497.3225     0.0128  B- -13700.5585   155.5611   54 951329.846       0.757
+  -3   26   29   55 Cu    x  -31635.403     155.560      8233.9970     2.8284  B- -17366#       429#       54 966038.000     167.000
+  -5   25   30   55 Zn    x  -14270#        400#         7904#         7#      B-      *                   54 984681#        429#
+0 18   37   19   56 K     x    7980#        600#         7663#        11#      B-  21491#       650#       56 008567#        644#
+  16   36   20   56 Ca    x  -13510.390     249.640      8033.1654     4.4579  B-  12005.4580   360.2029   55 985496.000     268.000
+  14   35   21   56 Sc    x  -25515.848     259.665      8233.5781     4.6369  B-  13907.1470   278.3271   55 972607.611     278.761
+  12   34   22   56 Ti       -39422.995     100.201      8467.9495     1.7893  B-   6760.4051   188.1842   55 957677.675     107.569
+  10   33   23   56 V        -46183.401     175.884      8574.7006     3.1408  B-   9101.7270   175.8854   55 950420.082     188.819
+   8   32   24   56 Cr   ++  -55285.128       0.578      8723.2609     0.0103  B-   1626.5384     0.5524   55 940648.977       0.620
+   6   31   25   56 Mn   -n  -56911.666       0.293      8738.3358     0.0052  B-   3695.4973     0.2065   55 938902.816       0.314
+   4   30   26   56 Fe       -60607.163       0.268      8790.3563     0.0048  B-  -4566.6455     0.4104   55 934935.537       0.287
+   2   29   27   56 Co       -56040.518       0.475      8694.8386     0.0085  B-  -2132.8689     0.3735   55 939838.032       0.510
+   0   28   28   56 Ni       -53907.649       0.399      8642.7811     0.0071  B- -15277.9163     6.4070   55 942127.761       0.428
+  -2   27   29   56 Cu    x  -38629.733       6.395      8355.9907     0.1142  B- -13240#       400#       55 958529.278       6.864
+  -4   26   30   56 Zn    x  -25390#        400#         8106#         7#      B- -21550#       640#       55 972743#        429#
+  -6   25   31   56 Ga    x   -3840#        500#         7707#         9#      B-      *                   55 995878#        537#
+0 19   38   19   57 K     x   14130#        600#         7563#        11#      B-  20689#       721#       57 015169#        644#
+  17   37   20   57 Ca    x   -6560#        400#         7912#         7#      B-  14820#       438#       56 992958#        429#
+  15   36   21   57 Sc    x  -21379.653     179.778      8158.1666     3.1540  B-  13022.1957   273.3249   56 977048.000     193.000
+  13   35   22   57 Ti    x  -34401.848     205.879      8372.9008     3.6119  B-  10033.2148   222.6466   56 963068.098     221.020
+  11   34   23   57 V     x  -44435.063      84.766      8535.1967     1.4871  B-   8089.9214    84.7864   56 952297.000      91.000
+   9   33   24   57 Cr    x  -52524.985       1.863      8663.3998     0.0327  B-   4961.2946     2.3948   56 943612.112       2.000
+   7   32   25   57 Mn       -57486.279       1.505      8736.7146     0.0264  B-   2695.7375     1.5219   56 938285.944       1.615
+   5   31   26   57 Fe       -60182.017       0.268      8770.2829     0.0047  B-   -836.3589     0.4493   56 935391.950       0.287
+   3   30   27   57 Co       -59345.658       0.516      8741.8845     0.0090  B-  -3261.6970     0.6417   56 936289.819       0.553
+   1   29   28   57 Ni       -56083.961       0.566      8670.9364     0.0099  B-  -8774.9466     0.4393   56 939791.394       0.608
+  -1   28   29   57 Cu       -47309.014       0.501      8503.2646     0.0088  B- -14759#       200#       56 949211.686       0.537
+  -3   27   30   57 Zn    x  -32550#        200#         8231#         4#      B- -17140#       447#       56 965056#        215#
+  -5   26   31   57 Ga    x  -15410#        400#         7916#         7#      B-      *                   56 983457#        429#
+0 20   39   19   58 K     x   21930#        700#         7437#        12#      B-  23461#       860#       58 023543#        751#
+  18   38   20   58 Ca    x   -1530#        500#         7828#         9#      B-  13949#       535#       57 998357#        537#
+  16   37   21   58 Sc    x  -15479.569     190.025      8054.9436     3.2763  B-  15438.0995   264.0509   57 983382.000     204.000
+  14   36   22   58 Ti    x  -30917.668     183.340      8307.6290     3.1610  B-   9512.9152   206.8675   57 966808.519     196.823
+  12   35   23   58 V     x  -40430.584      95.816      8458.1560     1.6520  B-  11561.2240    95.8625   57 956595.985     102.862
+  10   34   24   58 Cr    x  -51991.808       2.981      8643.9987     0.0514  B-   3835.7607     4.0227   57 944184.501       3.200
+   8   33   25   58 Mn    x  -55827.568       2.701      8696.6438     0.0466  B-   6327.7027     2.7198   57 940066.643       2.900
+   6   32   26   58 Fe       -62155.271       0.316      8792.2534     0.0055  B-  -2307.9785     1.1389   57 933273.575       0.339
+   4   31   27   58 Co       -59847.292       1.153      8738.9719     0.0199  B-    381.5789     1.1071   57 935751.292       1.237
+   2   30   28   58 Ni       -60228.871       0.349      8732.0621     0.0060  B-  -8561.0204     0.4425   57 935341.650       0.374
+   0   29   29   58 Cu       -51667.851       0.564      8570.9696     0.0097  B-  -9368.9796    50.0020   57 944532.283       0.604
+  -2   28   30   58 Zn   --  -42298.871      50.001      8395.9467     0.8621  B- -18759#       304#       57 954590.296      53.678
+  -4   27   31   58 Ga    x  -23540#        300#         8059#         5#      B- -15960#       583#       57 974729#        322#
+  -6   26   32   58 Ge    x   -7580#        500#         7770#         9#      B-      *                   57 991863#        537#
+0 21   40   19   59 K     x   28750#        800#         7332#        14#      B-  22940#      1000#       59 030864#        859#
+  19   39   20   59 Ca    x    5810#        600#         7708#        10#      B-  16639#       650#       59 006237#        644#
+  17   38   21   59 Sc    x  -10829.550     249.640      7976.4073     4.2312  B-  15050#       390#       58 988374.000     268.000
+  15   37   22   59 Ti    x  -25880#        300#         8218#         5#      B-  11731#       330#       58 972217#        322#
+  13   36   23   59 V     x  -37610.617     137.400      8403.8034     2.3288  B-  10505.3137   137.4021   58 959623.343     147.505
+  11   35   24   59 Cr    x  -48115.931       0.671      8568.5995     0.0114  B-   7409.3977     2.4234   58 948345.426       0.720
+   9   34   25   59 Mn    x  -55525.328       2.329      8680.9224     0.0395  B-   5139.6290     2.3520   58 940391.111       2.500
+   7   33   26   59 Fe       -60664.957       0.330      8754.7746     0.0056  B-   1564.8804     0.3690   58 934873.492       0.354
+   5   32   27   59 Co       -62229.838       0.397      8768.0379     0.0067  B-  -1073.0050     0.1944   58 933193.524       0.426
+   3   31   28   59 Ni       -61156.833       0.351      8736.5912     0.0060  B-  -4798.3786     0.3973   58 934345.442       0.376
+   1   30   29   59 Cu       -56358.454       0.528      8642.0027     0.0090  B-  -9142.7760     0.6018   58 939496.713       0.566
+  -1   29   30   59 Zn       -47215.678       0.759      8473.7802     0.0129  B- -13456#       170#       58 949311.886       0.814
+  -3   28   31   59 Ga    x  -33760#        170#         8232#         3#      B- -17390#       434#       58 963757#        183#
+  -5   27   32   59 Ge    x  -16370#        400#         7924#         7#      B-      *                   58 982426#        429#
+0 20   40   20   60 Ca    x   11000#        700#         7627#        12#      B-  15550#       860#       60 011809#        751#
+  18   39   21   60 Sc    x   -4550#        500#         7873#         8#      B-  17549#       555#       59 995115#        537#
+  16   38   22   60 Ti    x  -22099.698     240.325      8152.7858     4.0054  B-  10987.7040   301.4311   59 976275.000     258.000
+  14   37   23   60 V     x  -33087.402     181.946      8322.8751     3.0324  B-  13821.0986   181.9496   59 964479.215     195.327
+  12   36   24   60 Cr    x  -46908.500       1.118      8540.1876     0.0186  B-   6059.4457     2.5831   59 949641.656       1.200
+  10   35   25   60 Mn    x  -52967.946       2.329      8628.1392     0.0388  B-   8445.2283     4.1261   59 943136.574       2.500
+   8   34   26   60 Fe  -nn  -61413.174       3.406      8755.8539     0.0568  B-    237.2633     3.4106   59 934070.249       3.656
+   6   33   27   60 Co   -n  -61650.437       0.403      8746.7692     0.0067  B-   2822.8058     0.2124   59 933815.536       0.433
+   4   32   28   60 Ni       -64473.243       0.353      8780.7769     0.0059  B-  -6127.9810     1.5735   59 930785.129       0.378
+   2   31   29   60 Cu    -  -58345.262       1.613      8665.6047     0.0269  B-  -4170.7922     1.6286   59 937363.787       1.731
+   0   30   30   60 Zn       -54174.470       0.548      8583.0524     0.0091  B- -14584#       200#       59 941841.317       0.588
+  -2   29   31   60 Ga    x  -39590#        200#         8327#         3#      B- -12060#       361#       59 957498#        215#
+  -4   28   32   60 Ge    x  -27530#        300#         8113#         5#      B- -21890#       500#       59 970445#        322#
+  -6   27   33   60 As    x   -5640#        400#         7735#         7#      B-      *                   59 993945#        429#
+0 21   41   20   61 Ca    x   19010#        800#         7503#        13#      B-  18510#      1000#       61 020408#        859#
+  19   40   21   61 Sc    x     500#        600#         7794#        10#      B-  16870#       671#       61 000537#        644#
+  17   39   22   61 Ti    x  -16370#        300#         8058#         5#      B-  13807#       381#       60 982426#        322#
+  15   38   23   61 V     x  -30177.121     234.920      8271.0417     3.8511  B-  12319.3807   234.9272   60 967603.529     252.196
+  13   37   24   61 Cr    x  -42496.502       1.863      8460.1734     0.0305  B-   9245.6277     2.9822   60 954378.130       2.000
+  11   36   25   61 Mn    x  -51742.130       2.329      8598.9157     0.0382  B-   7178.3730     3.4965   60 944452.541       2.500
+   9   35   26   61 Fe    x  -58920.503       2.608      8703.7686     0.0428  B-   3977.6759     2.7399   60 936746.241       2.800
+   7   34   27   61 Co  p2n  -62898.179       0.839      8756.1510     0.0138  B-   1323.8504     0.7899   60 932476.031       0.901
+   5   33   28   61 Ni       -64222.029       0.355      8765.0281     0.0058  B-  -2237.9663     0.9617   60 931054.819       0.381
+   3   32   29   61 Cu  p2n  -61984.063       0.951      8715.5148     0.0156  B-  -5635.1565    15.9028   60 933457.375       1.020
+   1   31   30   61 Zn       -56348.906      15.899      8610.3098     0.2606  B-  -9214.2438    37.6786   60 939506.964      17.068
+  -1   30   31   61 Ga       -47134.662      37.994      8446.4313     0.6228  B- -13345#       302#       60 949398.861      40.787
+  -3   29   32   61 Ge    x  -33790#        300#         8215#         5#      B- -16590#       424#       60 963725#        322#
+  -5   28   33   61 As    x  -17200#        300#         7930#         5#      B-      *                   60 981535#        322#
+0 20   41   21   62 Sc    x    7310#        600#         7688#        10#      B-  19510#       721#       62 007848#        644#
+  18   40   22   62 Ti    x  -12200#        400#         7990#         6#      B-  13013#       479#       61 986903#        429#
+  16   39   23   62 V     x  -25213.164     264.287      8187.7565     4.2627  B-  15639.4478   264.3094   61 972932.556     283.723
+  14   38   24   62 Cr    x  -40852.611       3.447      8427.3871     0.0556  B-   7671.3532     7.3947   61 956142.920       3.700
+  12   37   25   62 Mn   IT  -48523.965       6.542      8538.5002     0.1055  B-  10354.0920     7.1142   61 947907.384       7.023
+  10   36   26   62 Fe    x  -58878.057       2.794      8692.8831     0.0451  B-   2546.3427    18.7834   61 936791.809       3.000
+   8   35   27   62 Co    +  -61424.399      18.574      8721.3347     0.2996  B-   5322.0404    18.5695   61 934058.198      19.940
+   6   34   28   62 Ni       -66746.440       0.425      8794.5555     0.0069  B-  -3958.8965     0.4751   61 928344.753       0.455
+   4   33   29   62 Cu    -  -62787.543       0.637      8718.0839     0.0103  B-  -1619.4548     0.6507   61 932594.803       0.683
+   2   32   30   62 Zn       -61168.088       0.615      8679.3451     0.0099  B-  -9181.0666     0.3763   61 934333.359       0.660
+   0   31   31   62 Ga       -51987.022       0.637      8518.6449     0.0103  B-  -9847#       140#       61 944189.639       0.684
+  -2   30   32   62 Ge    x  -42140#        140#         8347#         2#      B- -17720#       331#       61 954761#        150#
+  -4   29   33   62 As    x  -24420#        300#         8049#         5#      B-      *                   61 973784#        322#
+0 21   42   21   63 Sc    x   13070#        700#         7603#        11#      B-  18930#       860#       63 014031#        751#
+  19   41   22   63 Ti    x   -5860#        500#         7891#         8#      B-  15880#       605#       62 993709#        537#
+  17   40   23   63 V     x  -21740.141     339.995      8130.7809     5.3968  B-  14438.1586   347.6720   62 976661.000     365.000
+  15   39   24   63 Cr    x  -36178.299      72.657      8347.5398     1.1533  B-  10708.7611    72.7520   62 961161.000      78.000
+  13   38   25   63 Mn    x  -46887.061       3.726      8505.1020     0.0591  B-   8748.5685     5.6915   62 949664.672       4.000
+  11   37   26   63 Fe       -55635.629       4.302      8631.5499     0.0683  B-   6215.9238    19.0668   62 940272.698       4.618
+   9   36   27   63 Co       -61851.553      18.575      8717.7972     0.2948  B-   3661.3385    18.5704   62 933599.630      19.941
+   7   35   28   63 Ni       -65512.891       0.426      8763.4955     0.0068  B-     66.9768     0.0149   62 929669.021       0.457
+   5   34   29   63 Cu       -65579.868       0.426      8752.1404     0.0068  B-  -3366.4392     1.5450   62 929597.119       0.457
+   3   33   30   63 Zn       -62213.429       1.560      8686.2866     0.0248  B-  -5666.3294     2.0330   62 933211.140       1.674
+   1   32   31   63 Ga    x  -56547.100       1.304      8583.9267     0.0207  B-  -9625.8787    37.2826   62 939294.194       1.400
+  -1   31   32   63 Ge    x  -46921.221      37.260      8418.7167     0.5914  B- -13421#       204#       62 949628.000      40.000
+  -3   30   33   63 As    x  -33500#        200#         8193#         3#      B- -16650#       539#       62 964036#        215#
+  -5   29   34   63 Se    x  -16850#        500#         7917#         8#      B-      *                   62 981911#        537#
+0 20   42   22   64 Ti    x   -1480#        600#         7826#         9#      B-  14840#       721#       63 998411#        644#
+  18   41   23   64 V     x  -16320#        400#         8045#         6#      B-  17320#       500#       63 982480#        429#
+  16   40   24   64 Cr    x  -33639.978     299.941      8303.5626     4.6866  B-   9349.0622   299.9620   63 963886.000     322.000
+  14   39   25   64 Mn    x  -42989.040       3.540      8437.4175     0.0553  B-  11980.5117     6.1402   63 953849.369       3.800
+  12   38   26   64 Fe    x  -54969.552       5.017      8612.3888     0.0784  B-   4822.8898    20.6249   63 940987.761       5.386
+  10   37   27   64 Co    +  -59792.442      20.005      8675.5223     0.3126  B-   7306.5921    20.0000   63 935810.176      21.476
+   8   36   28   64 Ni       -67099.034       0.463      8777.4637     0.0072  B-  -1674.6156     0.2055   63 927966.228       0.497
+   6   35   29   64 Cu       -65424.418       0.427      8739.0736     0.0067  B-    579.5996     0.6447   63 929764.001       0.458
+   4   34   30   64 Zn       -66004.018       0.644      8735.9057     0.0101  B-  -7171.1912     1.4825   63 929141.776       0.690
+   2   33   31   64 Ga       -58832.827       1.429      8611.6317     0.0223  B-  -4517.3237     3.9905   63 936840.366       1.533
+   0   32   32   64 Ge    x  -54315.503       3.726      8528.8243     0.0582  B- -14783#       203#       63 941689.912       4.000
+  -2   31   33   64 As   -p  -39532#        203#         8286#         3#      B- -12673#       540#       63 957560#        218#
+  -4   30   34   64 Se    x  -26860#        500#         8075#         8#      B-      *                   63 971165#        537#
+0 21   43   22   65 Ti    x    5210#        700#         7726#        11#      B-  17320#       860#       65 005593#        751#
+  19   42   23   65 V     x  -12110#        500#         7981#         8#      B-  16200#       539#       64 986999#        537#
+  17   41   24   65 Cr    x  -28310#        200#         8218#         3#      B-  12657#       200#       64 969608#        215#
+  15   40   25   65 Mn    x  -40967.344       3.726      8400.6822     0.0573  B-  10250.5576     6.3257   64 956019.749       4.000
+  13   39   26   65 Fe    x  -51217.902       5.112      8546.3470     0.0786  B-   7967.3036     5.5198   64 945015.323       5.487
+  11   38   27   65 Co    x  -59185.205       2.083      8656.8848     0.0320  B-   5940.5911     2.1379   64 936462.071       2.235
+   9   37   28   65 Ni   -n  -65125.796       0.483      8736.2424     0.0074  B-   2137.8808     0.6997   64 930084.585       0.518
+   7   36   29   65 Cu       -67263.677       0.643      8757.0967     0.0099  B-  -1351.6527     0.3557   64 927789.476       0.690
+   5   35   30   65 Zn       -65912.024       0.646      8724.2660     0.0099  B-  -3254.5380     0.6305   64 929240.534       0.693
+   3   34   31   65 Ga       -62657.486       0.791      8662.1601     0.0122  B-  -6179.2631     2.3046   64 932734.424       0.849
+   1   33   32   65 Ge       -56478.223       2.165      8555.0584     0.0333  B-  -9541.1670    84.7936   64 939368.136       2.323
+  -1   32   33   65 As    x  -46937.056      84.766      8396.2351     1.3041  B- -13917#       312#       64 949611.000      91.000
+  -3   31   34   65 Se    x  -33020#        300#         8170#         5#      B- -16529#       583#       64 964552#        322#
+  -5   30   35   65 Br    x  -16490#        500#         7904#         8#      B-      *                   64 982297#        537#
+0 20   43   23   66 V     x   -6300#        500#         7894#         8#      B-  18840#       583#       65 993237#        537#
+  18   42   24   66 Cr    x  -25140#        300#         8168#         5#      B-  11610#       300#       65 973011#        322#
+  16   41   25   66 Mn    x  -36750.392      11.178      8331.7986     0.1694  B-  13317.4543    11.9056   65 960546.833      12.000
+  14   40   26   66 Fe    x  -50067.847       4.099      8521.7245     0.0621  B-   6340.6944    14.5611   65 946249.958       4.400
+  12   39   27   66 Co    x  -56408.541      13.972      8605.9419     0.2117  B-   9597.7522    14.0421   65 939442.943      15.000
+  10   38   28   66 Ni    x  -66006.293       1.397      8739.5086     0.0212  B-    251.9958     1.5405   65 929139.333       1.500
+   8   37   29   66 Cu       -66258.289       0.649      8731.4730     0.0098  B-   2640.9396     0.9255   65 928868.804       0.696
+   6   36   30   66 Zn       -68899.229       0.744      8759.6335     0.0113  B-  -5175.5000     0.8000   65 926033.639       0.798
+   4   35   31   66 Ga    -  -63723.729       1.092      8669.3631     0.0166  B-  -2116.6879     2.6376   65 931589.766       1.172
+   2   34   32   66 Ge    x  -61607.041       2.401      8625.4383     0.0364  B-  -9581.9570     6.1685   65 933862.124       2.577
+   0   33   33   66 As    x  -52025.084       5.682      8468.4034     0.0861  B- -10365#       200#       65 944148.778       6.100
+  -2   32   34   66 Se    x  -41660#        200#         8300#         3#      B- -18091#       447#       65 955276#        215#
+  -4   31   35   66 Br    x  -23570#        400#         8014#         6#      B-      *                   65 974697#        429#
+0 21   44   23   67 V     x   -1744#        600#         7829#         9#      B-  17526#       721#       66 998128#        644#
+  19   43   24   67 Cr    x  -19270#        400#         8079#         6#      B-  14311#       447#       66 979313#        429#
+  17   42   25   67 Mn    x  -33580#        200#         8281#         3#      B-  12128#       200#       66 963950#        215#
+  15   41   26   67 Fe    x  -45708.416       3.819      8449.9359     0.0570  B-   9613.3678     7.4900   66 950930.000       4.100
+  13   40   27   67 Co    x  -55321.783       6.443      8581.7422     0.0962  B-   8420.9047     7.0607   66 940609.625       6.917
+  11   39   28   67 Ni    x  -63742.688       2.888      8695.7505     0.0431  B-   3576.8654     3.0223   66 931569.413       3.100
+   9   38   29   67 Cu       -67319.553       0.892      8737.4597     0.0133  B-    560.8226     0.8296   66 927729.490       0.957
+   7   37   30   67 Zn       -67880.376       0.755      8734.1534     0.0113  B-  -1001.2201     1.1196   66 927127.422       0.810
+   5   36   31   67 Ga       -66879.156       1.176      8707.5330     0.0176  B-  -4205.4380     4.4066   66 928202.276       1.262
+   3   35   32   67 Ge       -62673.718       4.319      8633.0884     0.0645  B-  -6086.4858     4.3418   66 932716.999       4.636
+   1   34   33   67 As       -56587.232       0.443      8530.5685     0.0066  B- -10006.9381    67.0690   66 939251.110       0.475
+  -1   33   34   67 Se    x  -46580.294      67.068      8369.5344     1.0010  B- -14051#       307#       66 949994.000      72.000
+  -3   32   35   67 Br    x  -32530#        300#         8148#         4#      B- -16978#       520#       66 965078#        322#
+  -5   31   36   67 Kr  -pp  -15552#        424#         7883#         6#      B-      *                   66 983305#        455#
+0 20   44   24   68 Cr    x  -15690#        500#         8026#         7#      B-  13230#       583#       67 983156#        537#
+  18   43   25   68 Mn    x  -28920#        300#         8209#         4#      B-  14977#       356#       67 968953#        322#
+  16   42   26   68 Fe    x  -43897#        193#         8418#         3#      B-   7746#       193#       67 952875#        207#
+  14   41   27   68 Co       -51642.591       3.859      8520.1301     0.0567  B-  11821.2318     4.8760   67 944559.401       4.142
+  12   40   28   68 Ni    x  -63463.822       2.981      8682.4667     0.0438  B-   2103.2205     3.3753   67 931868.787       3.200
+  10   39   29   68 Cu    x  -65567.043       1.584      8701.8913     0.0233  B-   4440.1115     1.7645   67 929610.887       1.700
+   8   38   30   68 Zn       -70007.154       0.778      8755.6820     0.0115  B-  -2921.1000     1.2000   67 924844.232       0.835
+   6   37   31   68 Ga    -  -67086.054       1.430      8701.2195     0.0210  B-   -107.2555     2.3594   67 927980.161       1.535
+   4   36   32   68 Ge    x  -66978.799       1.876      8688.1371     0.0276  B-  -8084.2715     2.6320   67 928095.305       2.014
+   2   35   33   68 As       -58894.527       1.846      8557.7457     0.0271  B-  -4705.0786     1.9112   67 936774.127       1.981
+   0   34   34   68 Se    x  -54189.449       0.496      8477.0482     0.0073  B- -15398#       259#       67 941825.236       0.532
+  -2   33   35   68 Br   -p  -38791#        259#         8239#         4#      B- -13165#       563#       67 958356#        278#
+  -4   32   36   68 Kr    x  -25626#        500#         8034#         7#      B-      *                   67 972489#        537#
+0 21   45   24   69 Cr    x   -9630#        500#         7939#         7#      B-  15730#       640#       68 989662#        537#
+  19   44   25   69 Mn    x  -25360#        400#         8155#         6#      B-  13839#       447#       68 972775#        429#
+  17   43   26   69 Fe    x  -39199#        200#         8345#         3#      B-  11186#       218#       68 957918#        215#
+  15   42   27   69 Co    x  -50385.447      85.697      8495.4062     1.2420  B-   9593.2084    85.7784   68 945909.000      92.000
+  13   41   28   69 Ni    x  -59978.656       3.726      8623.0998     0.0540  B-   5757.5650     3.9793   68 935610.267       4.000
+  11   40   29   69 Cu    x  -65736.221       1.397      8695.2044     0.0203  B-   2681.6854     1.6075   68 929429.267       1.500
+   9   39   30   69 Zn   -n  -68417.906       0.795      8722.7311     0.0115  B-    909.9134     1.4234   68 926550.360       0.853
+   7   38   31   69 Ga       -69327.820       1.197      8724.5798     0.0174  B-  -2227.1455     0.5500   68 925573.528       1.285
+   5   37   32   69 Ge       -67100.674       1.318      8680.9640     0.0191  B-  -3988.4927    31.9822   68 927964.467       1.414
+   3   36   33   69 As       -63112.181      31.999      8611.8214     0.4638  B-  -6677.4672    32.0215   68 932246.289      34.352
+   1   35   34   69 Se       -56434.714       1.490      8503.7082     0.0216  B- -10175.2364    42.0293   68 939414.845       1.599
+  -1   34   35   69 Br   -p  -46259.478      42.003      8344.9026     0.6087  B- -14119#       303#       68 950338.410      45.091
+  -3   33   36   69 Kr    x  -32140#        300#         8129#         4#      B-      *                   68 965496#        322#
+0 22   46   24   70 Cr    x   -5640#        600#         7884#         9#      B-  14810#       781#       69 993945#        644#
+  20   45   25   70 Mn    x  -20450#        500#         8084#         7#      B-  16440#       583#       69 978046#        537#
+  18   44   26   70 Fe    x  -36890#        300#         8308#         4#      B-   9635#       300#       69 960397#        322#
+  16   43   27   70 Co    x  -46524.963      10.992      8434.1980     0.1570  B-  12688.9049    11.1987   69 950053.400      11.800
+  14   42   28   70 Ni    x  -59213.868       2.144      8604.2917     0.0306  B-   3762.5123     2.4011   69 936431.300       2.301
+  12   41   29   70 Cu    x  -62976.381       1.082      8646.8655     0.0155  B-   6588.3675     2.2018   69 932392.078       1.161
+  10   40   30   70 Zn       -69564.748       1.918      8729.8086     0.0274  B-   -654.5979     1.5737   69 925319.175       2.058
+   8   39   31   70 Ga       -68910.150       1.201      8709.2808     0.0172  B-   1651.8861     1.4520   69 926021.914       1.289
+   6   38   32   70 Ge       -70562.036       0.820      8721.7028     0.0117  B-  -6228.0630     1.6200   69 924248.542       0.880
+   4   37   33   70 As    x  -64333.973       1.397      8621.5541     0.0200  B-  -2404.0737     2.1118   69 930934.642       1.500
+   2   36   34   70 Se    x  -61929.900       1.584      8576.0338     0.0226  B- -10504.2727    14.9878   69 933515.521       1.700
+   0   35   35   70 Br    x  -51425.627      14.904      8414.7964     0.2129  B- -10325#       201#       69 944792.321      16.000
+  -2   34   36   70 Kr    x  -41100#        200#         8256#         3#      B-      *                   69 955877#        215#
+0 21   46   25   71 Mn    x  -16620#        500#         8030#         7#      B-  15310#       640#       70 982158#        537#
+  19   45   26   71 Fe    x  -31930#        400#         8235#         6#      B-  12440#       613#       70 965722#        429#
+  17   44   27   71 Co    x  -44369.930     465.030      8398.7344     6.5497  B-  11036.3053   465.0353   70 952366.923     499.230
+  15   43   28   71 Ni    x  -55406.236       2.237      8543.1564     0.0315  B-   7304.8989     2.6879   70 940518.962       2.401
+  13   42   29   71 Cu    x  -62711.134       1.490      8635.0233     0.0210  B-   4617.6517     3.0437   70 932676.831       1.600
+  11   41   30   71 Zn       -67328.786       2.654      8689.0417     0.0374  B-   2810.3405     2.7748   70 927719.578       2.849
+   9   40   31   71 Ga       -70139.127       0.811      8717.6050     0.0114  B-   -232.4698     0.0934   70 924702.554       0.870
+   7   39   32   71 Ge       -69906.657       0.815      8703.3118     0.0115  B-  -2013.4000     4.0825   70 924952.120       0.874
+   5   38   33   71 As    -  -67893.257       4.163      8663.9350     0.0586  B-  -4746.7420     5.0140   70 927113.594       4.469
+   3   37   34   71 Se    x  -63146.515       2.794      8586.0606     0.0394  B-  -6644.0883     6.0820   70 932209.431       3.000
+   1   36   35   71 Br       -56502.426       5.402      8481.4629     0.0761  B- -10175.2155   128.8452   70 939342.153       5.799
+  -1   35   36   71 Kr       -46327.211     128.769      8327.1310     1.8136  B- -14037#       420#       70 950265.695     138.238
+  -3   34   37   71 Rb    x  -32290#        400#         8118#         6#      B-      *                   70 965335#        429#
+0 22   47   25   72 Mn    x  -11170#        600#         7955#         8#      B-  18080#       781#       71 988009#        644#
+  20   46   26   72 Fe    x  -29250#        500#         8195#         7#      B-  11050#       583#       71 968599#        537#
+  18   45   27   72 Co    x  -40300#        300#         8338#         4#      B-  13926#       300#       71 956736#        322#
+  16   44   28   72 Ni    x  -54226.068       2.237      8520.2118     0.0311  B-   5556.9381     2.6374   71 941785.924       2.401
+  14   43   29   72 Cu    x  -59783.006       1.397      8586.5256     0.0194  B-   8362.4883     2.5578   71 935820.306       1.500
+  12   42   30   72 Zn    x  -68145.495       2.142      8691.8053     0.0298  B-    442.7892     2.2934   71 926842.806       2.300
+  10   41   31   72 Ga       -68588.284       0.818      8687.0893     0.0114  B-   3997.6263     0.8217   71 926367.452       0.878
+   8   40   32   72 Ge       -72585.910       0.076      8731.7459     0.0011  B-  -4356.1019     4.0825   71 922075.824       0.081
+   6   39   33   72 As    -  -68229.808       4.083      8660.3786     0.0567  B-   -361.6194     4.5276   71 926752.291       4.383
+   4   38   34   72 Se    x  -67868.189       1.956      8644.4902     0.0272  B-  -8806.4384     2.2083   71 927140.506       2.100
+   2   37   35   72 Br    x  -59061.750       1.025      8511.3126     0.0142  B-  -5121.1683     8.0761   71 936594.606       1.100
+   0   36   36   72 Kr    x  -53940.582       8.011      8429.3193     0.1113  B- -15611#       500#       71 942092.406       8.600
+  -2   35   37   72 Rb    x  -38330#        500#         8202#         7#      B-      *                   71 958851#        537#
+0 23   48   25   73 Mn    x   -6700#        600#         7895#         8#      B-  17289#       781#       72 992807#        644#
+  21   47   26   73 Fe    x  -23990#        500#         8121#         7#      B-  13980#       583#       72 974246#        537#
+  19   46   27   73 Co    x  -37970#        300#         8302#         4#      B-  12139#       300#       72 959238#        322#
+  17   45   28   73 Ni    x  -50108.159       2.423      8457.6529     0.0332  B-   8879.2856     3.1038   72 946206.681       2.601
+  15   44   29   73 Cu       -58987.445       1.942      8568.5699     0.0266  B-   6605.9659     2.6910   72 936674.376       2.084
+  13   43   30   73 Zn    x  -65593.411       1.863      8648.3455     0.0255  B-   4105.9329     2.5064   72 929582.580       2.000
+  11   42   31   73 Ga    x  -69699.343       1.677      8693.8740     0.0230  B-   1598.1889     1.6777   72 925174.680       1.800
+   9   41   32   73 Ge       -71297.532       0.057      8705.0500     0.0008  B-   -344.7759     3.8528   72 923458.954       0.061
+   7   40   33   73 As       -70952.757       3.853      8689.6099     0.0528  B-  -2725.3604     7.3993   72 923829.086       4.136
+   5   39   34   73 Se       -68227.396       7.424      8641.5591     0.1017  B-  -4581.6095    10.0278   72 926754.881       7.969
+   3   38   35   73 Br       -63645.787       6.741      8568.0803     0.0923  B-  -7094.0287     9.4187   72 931673.441       7.237
+   1   37   36   73 Kr    x  -56551.758       6.578      8460.1847     0.0901  B- -10540.1468    41.3212   72 939289.193       7.061
+  -1   36   37   73 Rb   -p  -46011.611      40.794      8305.0821     0.5588  B- -14061#       403#       72 950604.506      43.794
+  -3   35   38   73 Sr    x  -31950#        401#         8102#         5#      B-      *                   72 965700#        430#
+0 22   48   26   74 Fe    x  -20660#        500#         8076#         7#      B-  12881#       640#       73 977821#        537#
+  20   47   27   74 Co    x  -33540#        400#         8239#         5#      B-  15160#       447#       73 963993#        429#
+  18   46   28   74 Ni    x  -48700#        200#         8433#         3#      B-   7306#       200#       73 947718#        215#
+  16   45   29   74 Cu    x  -56006.213       6.148      8521.5633     0.0831  B-   9750.5077     6.6424   73 939874.860       6.600
+  14   44   30   74 Zn    x  -65756.720       2.515      8642.7547     0.0340  B-   2292.9057     3.9102   73 929407.260       2.700
+  12   43   31   74 Ga    x  -68049.626       2.994      8663.1676     0.0405  B-   5372.8249     2.9941   73 926945.725       3.214
+  10   42   32   74 Ge       -73422.451       0.013      8725.2011     0.0003  B-  -2562.3871     1.6931   73 921177.760       0.013
+   8   41   33   74 As       -70860.064       1.693      8680.0020     0.0229  B-   1353.1467     1.6931   73 923928.596       1.817
+   6   40   34   74 Se       -72213.210       0.015      8687.7155     0.0003  B-  -6925.0492     5.8354   73 922475.933       0.015
+   4   39   35   74 Br       -65288.161       5.835      8583.5615     0.0789  B-  -2956.3173     6.1730   73 929910.279       6.264
+   2   38   36   74 Kr       -62331.844       2.013      8533.0390     0.0272  B- -10415.8280     3.4240   73 933084.016       2.161
+   0   37   37   74 Rb       -51916.016       3.027      8381.7123     0.0409  B- -11089#       100#       73 944265.867       3.249
+  -2   36   38   74 Sr    x  -40827#        100#         8221#         1#      B-      *                   73 956170#        107#
+0 23   49   26   75 Fe    x  -14700#        600#         7996#         8#      B-  15861#       721#       74 984219#        644#
+  21   48   27   75 Co    x  -30560#        400#         8197#         5#      B-  13680#       447#       74 967192#        429#
+  19   47   28   75 Ni    x  -44240#        200#         8369#         3#      B-  10230#       200#       74 952506#        215#
+  17   46   29   75 Cu       -54470.219       0.718      8495.0801     0.0096  B-   8088.6967     2.0837   74 941523.817       0.770
+  15   45   30   75 Zn    x  -62558.916       1.956      8592.4981     0.0261  B-   5901.7231     2.0679   74 932840.244       2.100
+  13   44   31   75 Ga    x  -68460.639       0.671      8660.7565     0.0089  B-   3396.3337     0.6727   74 926504.484       0.720
+  11   43   32   75 Ge   -n  -71856.973       0.052      8695.6096     0.0007  B-   1177.2301     0.8851   74 922858.370       0.055
+   9   42   33   75 As       -73034.203       0.884      8700.8748     0.0118  B-   -864.7139     0.8816   74 921594.562       0.948
+   7   41   34   75 Se       -72169.489       0.073      8678.9139     0.0010  B-  -3062.4694     4.2855   74 922522.870       0.078
+   5   40   35   75 Br    x  -69107.020       4.285      8627.6497     0.0571  B-  -4783.3880     9.1671   74 925810.566       4.600
+   3   39   36   75 Kr    x  -64323.632       8.104      8553.4399     0.1081  B-  -7104.9299     8.1895   74 930945.744       8.700
+   1   38   37   75 Rb    x  -57218.702       1.180      8448.2762     0.0157  B- -10600.0000   220.0000   74 938573.200       1.266
+  -1   37   38   75 Sr    -  -46618.702     220.003      8296.5116     2.9334  B- -14799#       372#       74 949952.767     236.183
+  -3   36   39   75 Y     x  -31820#        300#         8089#         4#      B-      *                   74 965840#        322#
+0 24   50   26   76 Fe    x  -10590#        600#         7943#         8#      B-  15070#       781#       75 988631#        644#
+  22   49   27   76 Co    x  -25660#        500#         8131#         7#      B-  16530#       583#       75 972453#        537#
+  20   48   28   76 Ni    x  -42190#        300#         8338#         4#      B-   8791#       300#       75 954707#        322#
+  18   47   29   76 Cu    x  -50981.627       0.913      8443.6018     0.0120  B-  11321.3964     1.7183   75 945268.974       0.980
+  16   46   30   76 Zn       -62303.024       1.456      8582.2735     0.0192  B-   3993.6241     2.4384   75 933114.956       1.562
+  14   45   31   76 Ga    x  -66296.648       1.956      8624.5272     0.0257  B-   6916.2501     1.9562   75 928827.624       2.100
+  12   44   32   76 Ge       -73212.898       0.018      8705.2364     0.0003  B-   -921.5145     0.8864   75 921402.725       0.019
+  10   43   33   76 As   -n  -72291.384       0.886      8682.8172     0.0117  B-   2960.5756     0.8864   75 922392.011       0.951
+   8   42   34   76 Se       -75251.959       0.016      8711.4781     0.0003  B-  -4962.8810     9.3218   75 919213.702       0.017
+   6   41   35   76 Br    -  -70289.078       9.322      8635.8830     0.1227  B-  -1275.3724    10.1490   75 924541.574      10.007
+   4   40   36   76 Kr       -69013.706       4.013      8608.8077     0.0528  B-  -8534.6172     4.1214   75 925910.743       4.308
+   2   39   37   76 Rb    x  -60479.089       0.938      8486.2161     0.0123  B-  -6231.4432    34.4780   75 935073.031       1.006
+   0   38   38   76 Sr    x  -54247.645      34.465      8393.9294     0.4535  B- -15998#       302#       75 941762.760      37.000
+  -2   37   39   76 Y     x  -38250#        300#         8173#         4#      B-      *                   75 958937#        322#
+0 23   50   27   77 Co    x  -21910#        600#         8082#         8#      B-  15440#       721#       76 976479#        644#
+  21   49   28   77 Ni    x  -37350#        400#         8272#         5#      B-  11513#       400#       76 959903#        429#
+  19   48   29   77 Cu    x  -48862.828       1.211      8411.2501     0.0157  B-   9926.3750     2.3148   76 947543.599       1.300
+  17   47   30   77 Zn       -58789.203       1.973      8530.0037     0.0256  B-   7203.1495     3.1237   76 936887.197       2.117
+  15   46   31   77 Ga    x  -65992.352       2.422      8613.3907     0.0315  B-   5220.5176     2.4225   76 929154.299       2.600
+  13   45   32   77 Ge   -n  -71212.870       0.053      8671.0293     0.0007  B-   2703.4642     1.6926   76 923549.843       0.056
+  11   44   33   77 As       -73916.334       1.692      8695.9789     0.0220  B-    683.1627     1.6920   76 920647.555       1.816
+   9   43   34   77 Se       -74599.497       0.062      8694.6908     0.0008  B-  -1364.6792     2.8099   76 919914.150       0.067
+   7   42   35   77 Br    -  -73234.818       2.811      8666.8073     0.0365  B-  -3065.3663     3.4244   76 921379.193       3.017
+   5   41   36   77 Kr    x  -70169.451       1.956      8616.8370     0.0254  B-  -5338.9516     2.3510   76 924669.999       2.100
+   3   40   37   77 Rb    x  -64830.500       1.304      8537.3396     0.0169  B-  -7027.0566     8.0244   76 930401.599       1.400
+   1   39   38   77 Sr    x  -57803.443       7.918      8435.9188     0.1028  B- -11365#       203#       76 937945.454       8.500
+  -1   38   39   77 Y    -p  -46439#        203#         8278#         3#      B- -14839#       448#       76 950146#        218#
+  -3   37   40   77 Zr    x  -31600#        400#         8075#         5#      B-      *                   76 966076#        429#
+0 24   51   27   78 Co    x  -15320#        700#         7997#         9#      B-  19560#       806#       77 983553#        751#
+  22   50   28   78 Ni    x  -34880#        400#         8238#         5#      B-   9910#       400#       77 962555#        429#
+  20   49   29   78 Cu       -44789.474      13.332      8354.6695     0.1709  B-  12693.7680    13.4727   77 951916.524      14.312
+  18   48   30   78 Zn       -57483.242       1.944      8507.3800     0.0249  B-   6220.8433     2.2088   77 938289.204       2.086
+  16   47   31   78 Ga       -63704.085       1.051      8577.1043     0.0135  B-   8157.9729     3.6884   77 931610.854       1.127
+  14   46   32   78 Ge  -nn  -71862.058       3.536      8671.6636     0.0453  B-    954.9114    10.3987   77 922852.911       3.795
+  12   45   33   78 As  +pn  -72816.970       9.779      8673.8760     0.1254  B-   4208.9819     9.7801   77 921827.771      10.498
+  10   44   34   78 Se       -77025.952       0.179      8717.8072     0.0023  B-  -3573.7836     3.5750   77 917309.244       0.191
+   8   43   35   78 Br    -  -73452.168       3.580      8661.9594     0.0459  B-    726.1153     3.5845   77 921145.858       3.842
+   6   42   36   78 Kr       -74178.283       0.307      8661.2385     0.0039  B-  -7242.8560     3.2520   77 920366.341       0.329
+   4   41   37   78 Rb    x  -66935.427       3.237      8558.3512     0.0415  B-  -3761.4779     8.1248   77 928141.866       3.475
+   2   40   38   78 Sr    x  -63173.949       7.452      8500.0971     0.0955  B- -11001#       298#       77 932179.979       8.000
+   0   39   39   78 Y     x  -52173#        298#         8349#         4#      B- -11323#       499#       77 943990#        320#
+  -2   38   40   78 Zr    x  -40850#        400#         8194#         5#      B-      *                   77 956146#        429#
+0 23   51   28   79 Ni    x  -28160#        500#         8150#         6#      B-  14248#       511#       78 969769#        537#
+  21   50   29   79 Cu    x  -42408.039     104.979      8320.9380     1.3289  B-  11024.2629   105.0030   78 954473.100     112.700
+  19   49   30   79 Zn       -53432.302       2.225      8450.5825     0.0282  B-   9116.0536     2.5295   78 942638.067       2.388
+  17   48   31   79 Ga       -62548.355       1.208      8556.0725     0.0153  B-   6978.8242    37.1467   78 932851.582       1.296
+  15   47   32   79 Ge       -69527.180      37.161      8634.5089     0.4704  B-   4108.9014    37.4361   78 925359.506      39.893
+  13   46   33   79 As       -73636.081       5.325      8676.6172     0.0674  B-   2281.3849     5.3284   78 920948.419       5.716
+  11   45   34   79 Se   -n  -75917.466       0.223      8695.5923     0.0028  B-    150.6016     1.0186   78 918499.252       0.238
+   9   44   35   79 Br       -76068.067       1.001      8687.5956     0.0127  B-  -1625.7778     3.3333   78 918337.574       1.074
+   7   43   36   79 Kr    -  -74442.290       3.480      8657.1130     0.0441  B-  -3639.5114     3.9423   78 920082.919       3.736
+   5   42   37   79 Rb       -70802.778       1.943      8601.1401     0.0246  B-  -5323.1140     7.5630   78 923990.095       2.085
+   3   41   38   79 Sr       -65479.664       7.421      8523.8558     0.0939  B-  -7676.7291    80.4515   78 929704.692       7.967
+   1   40   39   79 Y     x  -57802.935      80.108      8416.7788     1.0140  B- -11033#       310#       78 937946.000      86.000
+  -1   39   40   79 Zr    x  -46770#        300#         8267#         4#      B- -15120#       583#       78 949790#        322#
+  -3   38   41   79 Nb    x  -31650#        500#         8066#         6#      B-      *                   78 966022#        537#
+0 24   52   28   80 Ni    x  -23240#        600#         8088#         7#      B-  13440#       671#       79 975051#        644#
+  22   51   29   80 Cu    x  -36679#        300#         8246#         4#      B-  14969#       300#       79 960623#        322#
+  20   50   30   80 Zn       -51648.619       2.585      8423.5457     0.0323  B-   7575.0553     3.8774   79 944552.929       2.774
+  18   49   31   80 Ga    x  -59223.675       2.891      8508.4545     0.0361  B-  10311.6397     3.5409   79 936420.773       3.103
+  16   48   32   80 Ge    x  -69535.314       2.054      8627.5707     0.0257  B-   2679.2869     3.9156   79 925350.773       2.205
+  14   47   33   80 As    x  -72214.601       3.333      8651.2824     0.0417  B-   5544.8861     3.4412   79 922474.440       3.578
+  12   46   34   80 Se       -77759.487       0.947      8710.8142     0.0118  B-  -1870.4623     0.3095   79 916521.761       1.016
+  10   45   35   80 Br       -75889.025       0.993      8677.6541     0.0124  B-   2004.4299     1.1413   79 918529.784       1.065
+   8   44   36   80 Kr       -77893.455       0.695      8692.9301     0.0087  B-  -5717.9785     1.9883   79 916377.940       0.745
+   6   43   37   80 Rb    x  -72175.476       1.863      8611.6760     0.0233  B-  -1864.0090     3.9331   79 922516.442       2.000
+   4   42   38   80 Sr    x  -70311.467       3.464      8578.5966     0.0433  B-  -9163.3050     7.1389   79 924517.538       3.718
+   2   41   39   80 Y     x  -61148.162       6.242      8454.2759     0.0780  B-  -6388#       300#       79 934354.750       6.701
+   0   40   40   80 Zr    x  -54760#        300#         8365#         4#      B- -16339#       500#       79 941213#        322#
+  -2   39   41   80 Nb    x  -38420#        400#         8151#         5#      B-      *                   79 958754#        429#
+0 25   53   28   81 Ni    x  -16090#        700#         8000#         9#      B-  15820#       761#       80 982727#        751#
+  23   52   29   81 Cu    x  -31910#        300#         8185#         4#      B-  14289#       300#       80 965743#        322#
+  21   51   30   81 Zn    x  -46199.669       5.030      8351.9262     0.0621  B-  11428.2924     5.9960   80 950402.617       5.400
+  19   50   31   81 Ga    x  -57627.962       3.264      8483.3576     0.0403  B-   8663.7335     3.8508   80 938133.841       3.503
+  17   49   32   81 Ge    x  -66291.695       2.055      8580.6587     0.0254  B-   6241.6189     3.3436   80 928832.941       2.205
+  15   48   33   81 As       -72533.314       2.644      8648.0571     0.0326  B-   3855.7050     2.8072   80 922132.288       2.838
+  13   47   34   81 Se       -76389.019       0.977      8685.9998     0.0121  B-   1588.0317     1.3787   80 917993.019       1.049
+  11   46   35   81 Br       -77977.051       0.978      8695.9465     0.0121  B-   -280.8517     0.4713   80 916288.197       1.049
+   9   45   36   81 Kr       -77696.199       1.074      8682.8206     0.0133  B-  -2239.4954     5.0188   80 916589.703       1.152
+   7   44   37   81 Rb       -75456.704       4.904      8645.5139     0.0605  B-  -3928.5695     5.8170   80 918993.900       5.265
+   5   43   38   81 Sr    x  -71528.134       3.128      8587.3545     0.0386  B-  -5815.2156     6.2451   80 923211.393       3.358
+   3   42   39   81 Y     x  -65712.919       5.405      8505.9031     0.0667  B-  -8188.5003    92.3762   80 929454.283       5.802
+   1   41   40   81 Zr    x  -57524.418      92.218      8395.1519     1.1385  B- -11164#       410#       80 938245.000      99.000
+  -1   40   41   81 Nb    x  -46360#        400#         8248#         5#      B- -14900#       640#       80 950230#        429#
+  -3   39   42   81 Mo    x  -31460#        500#         8054#         6#      B-      *                   80 966226#        537#
+0 26   54   28   82 Ni    x  -10720#        800#         7935#        10#      B-  15010#       894#       81 988492#        859#
+  24   53   29   82 Cu    x  -25730#        400#         8108#         5#      B-  16584#       400#       81 972378#        429#
+  22   52   30   82 Zn    x  -42313.960       3.074      8301.1175     0.0375  B-  10616.7652     3.9162   81 954574.097       3.300
+  20   51   31   82 Ga    x  -52930.725       2.426      8421.0494     0.0296  B-  12484.3497     3.2960   81 943176.531       2.604
+  18   50   32   82 Ge    x  -65415.075       2.240      8563.7567     0.0273  B-   4690.3523     4.3452   81 929774.031       2.405
+  16   49   33   82 As    x  -70105.427       3.729      8611.4153     0.0455  B-   7488.4677     3.7579   81 924738.731       4.003
+  14   48   34   82 Se       -77593.895       0.466      8693.1973     0.0057  B-    -95.2184     1.0767   81 916699.531       0.500
+  12   47   35   82 Br       -77498.677       0.971      8682.4953     0.0118  B-   3093.1185     0.9714   81 916801.752       1.042
+  10   46   36   82 Kr       -80591.79509     0.00551    8710.6754     0.0003  B-  -4403.9824     3.0088   81 913481.15368     0.00591
+   8   45   37   82 Rb   IT  -76187.813       3.009      8647.4275     0.0367  B-   -177.7503     6.7048   81 918209.023       3.230
+   6   44   38   82 Sr       -76010.062       5.992      8635.7190     0.0731  B-  -7945.9650     8.1324   81 918399.845       6.432
+   4   43   39   82 Y     x  -68064.097       5.499      8529.2762     0.0671  B-  -4450.0341     5.7221   81 926930.189       5.902
+   2   42   40   82 Zr    x  -63614.063       1.584      8465.4666     0.0193  B- -11804#       300#       81 931707.497       1.700
+   0   41   41   82 Nb    x  -51810#        300#         8312#         4#      B- -11440#       500#       81 944380#        322#
+  -2   40   42   82 Mo    x  -40370#        400#         8163#         5#      B-      *                   81 956661#        429#
+0 25   54   29   83 Cu    x  -20390#        500#         8044#         6#      B-  15900#       583#       82 978110#        537#
+  23   53   30   83 Zn    x  -36290#        300#         8226#         4#      B-  12967#       300#       82 961041#        322#
+  21   52   31   83 Ga    x  -49257.129       2.612      8372.5756     0.0315  B-  11719.3136     3.5592   82 947120.300       2.804
+  19   51   32   83 Ge    x  -60976.442       2.427      8504.3462     0.0292  B-   8692.8893     3.6979   82 934539.100       2.604
+  17   50   33   83 As    x  -69669.331       2.799      8599.6540     0.0337  B-   5671.2117     4.1290   82 925206.900       3.004
+  15   49   34   83 Se   -n  -75340.543       3.036      8658.5560     0.0366  B-   3673.1780     4.8392   82 919118.604       3.259
+  13   48   35   83 Br       -79013.721       3.795      8693.3852     0.0457  B-    976.9222     3.7947   82 915175.285       4.073
+  11   47   36   83 Kr       -79990.643       0.009      8695.7295     0.0003  B-   -920.0039     2.3288   82 914126.516       0.009
+   9   46   37   83 Rb       -79070.639       2.329      8675.2193     0.0281  B-  -2273.0239     6.4245   82 915114.181       2.500
+   7   45   38   83 Sr       -76797.616       6.834      8638.4076     0.0823  B-  -4591.9435    19.8444   82 917554.372       7.336
+   5   44   39   83 Y     x  -72205.672      18.631      8573.6571     0.2245  B-  -6294.0125    19.7074   82 922484.026      20.000
+   3   43   40   83 Zr    x  -65911.659       6.430      8488.3997     0.0775  B-  -8298.7493   162.2075   82 929240.926       6.902
+   1   42   41   83 Nb    x  -57612.910     162.080      8378.9889     1.9528  B- -11273#       432#       82 938150.000     174.000
+  -1   41   42   83 Mo    x  -46340#        401#         8234#         5#      B- -15020#       641#       82 950252#        430#
+  -3   40   43   83 Tc    x  -31320#        500#         8043#         6#      B-      *                   82 966377#        537#
+0 26   55   29   84 Cu    x  -13720#        500#         7965#         6#      B-  18110#       640#       83 985271#        537#
+  24   54   30   84 Zn    x  -31830#        400#         8171#         5#      B-  12264#       401#       83 965829#        429#
+  22   53   31   84 Ga    x  -44094.136      29.808      8307.5250     0.3549  B-  14054.2989    29.9760   83 952663.000      32.000
+  20   52   32   84 Ge    x  -58148.435       3.171      8465.5244     0.0377  B-   7705.1329     4.4789   83 937575.090       3.403
+  18   51   33   84 As    x  -65853.568       3.171      8547.9385     0.0377  B-  10094.1624     3.7219   83 929303.290       3.403
+  16   50   34   84 Se       -75947.731       1.961      8658.7935     0.0233  B-   1835.3638    25.7652   83 918466.761       2.105
+  14   49   35   84 Br       -77783.094      25.730      8671.3294     0.3063  B-   4656.2510    25.7300   83 916496.417      27.622
+  12   48   36   84 Kr       -82439.34527     0.00382    8717.4473     0.0003  B-  -2680.3708     2.1940   83 911497.72708     0.00410
+  10   47   37   84 Rb       -79758.975       2.194      8676.2244     0.0261  B-    890.6058     2.3356   83 914375.223       2.355
+   8   46   38   84 Sr       -80649.580       1.243      8677.5132     0.0148  B-  -6755.1411     4.4114   83 913419.118       1.334
+   6   45   39   84 Y        -73894.439       4.299      8587.7812     0.0512  B-  -2472.7471     6.9767   83 920671.060       4.615
+   4   44   40   84 Zr    x  -71421.692       5.499      8549.0301     0.0655  B- -10227.8497     5.5133   83 923325.663       5.903
+   2   43   41   84 Nb    x  -61193.842       0.401      8417.9563     0.0048  B-  -7024#       298#       83 934305.711       0.430
+   0   42   42   84 Mo    x  -54170#        298#         8325#         4#      B- -16470#       499#       83 941846#        320#
+  -2   41   43   84 Tc    x  -37700#        400#         8120#         5#      B-      *                   83 959527#        429#
+0 25   55   30   85 Zn    x  -25100#        500#         8090#         6#      B-  14644#       502#       84 973054#        537#
+  23   54   31   85 Ga    x  -39744.059      37.260      8253.5687     0.4384  B-  13379.3679    37.4459   84 957333.000      40.000
+  21   53   32   85 Ge    x  -53123.427       3.729      8401.7689     0.0439  B-  10065.7253     4.8303   84 942969.658       4.003
+  19   52   33   85 As    x  -63189.152       3.078      8510.9851     0.0362  B-   9224.4929     4.0313   84 932163.658       3.304
+  17   51   34   85 Se  +3p  -72413.645       2.613      8610.3045     0.0307  B-   6161.8335     4.0313   84 922260.758       2.804
+  15   50   35   85 Br +n2p  -78575.478       3.078      8673.5926     0.0362  B-   2904.8622     3.6705   84 915645.758       3.304
+  13   49   36   85 Kr    +  -81480.341       2.000      8698.5633     0.0235  B-    687.0000     2.0000   84 912527.260       2.147
+  11   48   37   85 Rb       -82167.34065     0.00500    8697.4416     0.0003  B-  -1064.0510     2.8132   84 911789.73604     0.00537
+   9   47   38   85 Sr       -81103.290       2.813      8675.7193     0.0331  B-  -3261.1584    19.1729   84 912932.041       3.020
+   7   46   39   85 Y     x  -77842.131      18.965      8628.1486     0.2231  B-  -4666.9352    20.0257   84 916433.039      20.360
+   5   45   40   85 Zr    x  -73175.196       6.430      8564.0394     0.0756  B-  -6895.5120     7.6250   84 921443.199       6.902
+   3   44   41   85 Nb    x  -66279.684       4.099      8473.7117     0.0482  B-  -8769.9238    16.3572   84 928845.836       4.400
+   1   43   42   85 Mo    x  -57509.760      15.835      8361.3320     0.1863  B- -11660#       400#       84 938260.736      17.000
+  -1   42   43   85 Tc    x  -45850#        400#         8215#         5#      B- -15220#       640#       84 950778#        429#
+  -3   41   44   85 Ru    x  -30630#        500#         8027#         6#      B-      *                   84 967117#        537#
+0 26   56   30   86 Zn    x  -20062#        500#         8032#         6#      B-  13699#       640#       85 978463#        537#
+  24   55   31   86 Ga    x  -33760#        400#         8182#         5#      B-  15640#       593#       85 963757#        429#
+  22   54   32   86 Ge    x  -49399.927     437.802      8354.6300     5.0907  B-   9562.2229   437.8158   85 946967.000     470.000
+  20   53   33   86 As    x  -58962.150       3.450      8456.7215     0.0401  B-  11541.0256     4.2666   85 936701.532       3.703
+  18   52   34   86 Se    x  -70503.175       2.520      8581.8224     0.0293  B-   5129.0860     3.9717   85 924311.732       2.705
+  16   51   35   86 Br  +pp  -75632.261       3.078      8632.3659     0.0358  B-   7633.4147     3.0779   85 918805.432       3.304
+  14   50   36   86 Kr       -83265.67593     0.00372    8712.0295     0.0003  B-   -518.6734     0.2000   85 910610.62468     0.00399
+  12   49   37   86 Rb   -n  -82747.003       0.200      8696.9014     0.0023  B-   1776.0972     0.2001   85 911167.443       0.214
+  10   48   38   86 Sr       -84523.09977     0.00524    8708.4566     0.0003  B-  -5240.0000    14.1421   85 909260.72473     0.00563
+   8   47   39   86 Y     -  -79283.100      14.142      8638.4293     0.1644  B-  -1314.0763    14.5847   85 914886.095      15.182
+   6   46   40   86 Zr       -77969.023       3.566      8614.0523     0.0415  B-  -8834.9627     6.5521   85 916296.814       3.827
+   4   45   41   86 Nb    x  -69134.061       5.499      8502.2231     0.0639  B-  -5023.1337     6.2316   85 925781.536       5.903
+   2   44   42   86 Mo    x  -64110.927       2.932      8434.7175     0.0341  B- -12541#       300#       85 931174.092       3.147
+   0   43   43   86 Tc    x  -51570#        300#         8280#         3#      B- -11800#       500#       85 944637#        322#
+  -2   42   44   86 Ru    x  -39770#        400#         8133#         5#      B-      *                   85 957305#        429#
+0 25   56   31   87 Ga    x  -28870#        500#         8124#         6#      B-  14720#       583#       86 969007#        537#
+  23   55   32   87 Ge    x  -43590#        300#         8285#         3#      B-  12028#       300#       86 953204#        322#
+  21   54   33   87 As    x  -55617.914       2.985      8413.8521     0.0343  B-  10808.2192     3.7260   86 940291.716       3.204
+  19   53   34   87 Se    x  -66426.133       2.241      8529.0920     0.0258  B-   7465.5526     3.8766   86 928688.616       2.405
+  17   52   35   87 Br 2p-n  -73891.685       3.171      8605.9105     0.0364  B-   6817.8455     3.1805   86 920674.016       3.404
+  15   51   36   87 Kr   -n  -80709.531       0.246      8675.2840     0.0028  B-   3888.2706     0.2463   86 913354.759       0.264
+  13   50   37   87 Rb       -84597.802       0.006      8710.9843     0.0003  B-    282.2749     0.0063   86 909180.529       0.006
+  11   49   38   87 Sr       -84880.07643     0.00513    8705.2363     0.0003  B-  -1861.6894     1.1278   86 908877.49454     0.00550
+   9   48   39   87 Y     -  -83018.387       1.128      8674.8451     0.0130  B-  -3671.2405     4.2962   86 910876.100       1.210
+   7   47   40   87 Zr       -79347.147       4.146      8623.6545     0.0477  B-  -5472.6536     7.9633   86 914817.338       4.450
+   5   46   41   87 Nb    x  -73874.493       6.802      8551.7579     0.0782  B-  -6989.6757     7.3781   86 920692.473       7.302
+   3   45   42   87 Mo       -66884.817       2.857      8462.4243     0.0328  B-  -9194.7656     5.0729   86 928196.198       3.067
+   1   44   43   87 Tc    x  -57690.052       4.192      8347.7449     0.0482  B- -11960#       400#       86 938067.185       4.500
+  -1   43   44   87 Ru    x  -45730#        400#         8201#         5#      B-      *                   86 950907#        429#
+0 26   57   31   88 Ga    x  -22390#        500#         8050#         6#      B-  17129#       640#       87 975963#        537#
+  24   56   32   88 Ge    x  -39520#        400#         8236#         5#      B-  10930#       447#       87 957574#        429#
+  22   55   33   88 As    x  -50450#        200#         8351#         2#      B-  13434#       200#       87 945840#        215#
+  20   54   34   88 Se    x  -63884.203       3.357      8495.0045     0.0382  B-   6831.7640     4.6125   87 931417.490       3.604
+  18   53   35   88 Br   ++  -70715.967       3.171      8563.7479     0.0360  B-   8975.3282     4.1059   87 924083.290       3.404
+  16   52   36   88 Kr    x  -79691.295       2.608      8656.8499     0.0296  B-   2917.7090     2.6130   87 914447.879       2.800
+  14   51   37   88 Rb       -82609.004       0.159      8681.1154     0.0018  B-   5312.6243     0.1590   87 911315.590       0.170
+  12   50   38   88 Sr       -87921.62876     0.00561    8732.5958     0.0003  B-  -3622.6000     1.5000   87 905612.253       0.006
+  10   49   39   88 Y     -  -84299.029       1.500      8682.5396     0.0170  B-   -670.1549     5.6076   87 909501.274       1.610
+   8   48   40   88 Zr       -83628.874       5.403      8666.0339     0.0614  B-  -7457.3187    57.8921   87 910220.715       5.800
+   6   47   41   88 Nb       -76171.555      57.808      8572.4013     0.6569  B-  -3485.0021    57.9345   87 918226.476      62.059
+   4   46   42   88 Mo    x  -72686.553       3.819      8523.9087     0.0434  B- -11016.2515     5.6021   87 921967.779       4.100
+   2   45   43   88 Tc    x  -61670.301       4.099      8389.8338     0.0466  B-  -7331#       300#       87 933794.211       4.400
+   0   44   44   88 Ru    x  -54340#        300#         8298#         3#      B- -17479#       500#       87 941664#        322#
+  -2   43   45   88 Rh    x  -36860#        400#         8090#         5#      B-      *                   87 960429#        429#
+0 25   57   32   89 Ge    x  -33040#        400#         8161#         4#      B-  13490#       500#       88 964530#        429#
+  23   56   33   89 As    x  -46530#        300#         8304#         3#      B-  12462#       300#       88 950048#        322#
+  21   55   34   89 Se    x  -58992.398       3.729      8435.2799     0.0419  B-   9281.8730     4.9510   88 936669.058       4.003
+  19   54   35   89 Br    x  -68274.271       3.264      8530.7802     0.0367  B-   8261.5231     3.9045   88 926704.558       3.504
+  17   53   36   89 Kr    x  -76535.795       2.142      8614.8158     0.0241  B-   5176.6042     5.8342   88 917835.449       2.300
+  15   52   37   89 Rb       -81712.399       5.427      8664.1895     0.0610  B-   4496.6278     5.4265   88 912278.136       5.825
+  13   51   38   89 Sr       -86209.026       0.092      8705.9230     0.0011  B-   1502.1757     0.3510   88 907450.808       0.098
+  11   50   39   89 Y        -87711.202       0.339      8714.0110     0.0038  B-  -2833.2285     2.7652   88 905838.156       0.363
+   9   49   40   89 Zr       -84877.974       2.780      8673.3865     0.0312  B-  -4252.2191    23.7199   88 908879.751       2.983
+   7   48   41   89 Nb       -80625.755      23.630      8616.8184     0.2655  B-  -5610.8105    23.9513   88 913444.696      25.367
+   5   47   42   89 Mo    x  -75014.944       3.912      8544.9851     0.0440  B-  -7620.0875     5.4673   88 919468.149       4.200
+   3   46   43   89 Tc    x  -67394.857       3.819      8450.5758     0.0429  B-  -9025.4327    24.5181   88 927648.649       4.100
+   1   45   44   89 Ru    x  -58369.424      24.219      8340.3760     0.2721  B- -12719#       361#       88 937337.849      26.000
+  -1   44   45   89 Rh   -p  -45651#        361#         8189#         4#      B-      *                   88 950992#        387#
+0 26   58   32   90 Ge    x  -28470#        500#         8109#         6#      B-  12520#       640#       89 969436#        537#
+  24   57   33   90 As    x  -40990#        400#         8240#         4#      B-  14810#       518#       89 955995#        429#
+  22   56   34   90 Se    x  -55800.223     329.749      8395.7672     3.6639  B-   8200.0834   329.7660   89 940096.000     354.000
+  20   55   35   90 Br    x  -64000.306       3.357      8478.1865     0.0373  B-  10958.9533     3.8396   89 931292.848       3.604
+  18   54   36   90 Kr    x  -74959.259       1.863      8591.2599     0.0207  B-   4406.3133     6.7158   89 919527.929       2.000
+  16   53   37   90 Rb       -79365.573       6.452      8631.5262     0.0717  B-   6585.3721     6.4806   89 914797.557       6.926
+  14   52   38   90 Sr       -85950.945       1.449      8696.0043     0.0161  B-    545.9674     1.4060   89 907727.870       1.555
+  12   51   39   90 Y        -86496.912       0.354      8693.3778     0.0039  B-   2275.6350     0.3726   89 907141.749       0.379
+  10   50   40   90 Zr       -88772.547       0.118      8709.9699     0.0013  B-  -6111.0165     3.3163   89 904698.755       0.126
+   8   49   41   90 Nb       -82661.531       3.317      8633.3770     0.0369  B-  -2489.0165     3.3163   89 911259.201       3.561
+   6   48   42   90 Mo       -80172.514       3.463      8597.0285     0.0385  B-  -9447.8181     3.6110   89 913931.270       3.717
+   4   47   43   90 Tc    x  -70724.696       1.025      8483.3600     0.0114  B-  -5840.8951     3.8685   89 924073.919       1.100
+   2   46   44   90 Ru       -64883.801       3.730      8409.7684     0.0414  B- -13250#       200#       89 930344.378       4.004
+   0   45   45   90 Rh    -  -51634#        200#         8254#         2#      B- -11924#       447#       89 944569#        215#
+  -2   44   46   90 Pd    x  -39710#        400#         8113#         4#      B-      *                   89 957370#        429#
+0 25   58   33   91 As    x  -36500#        400#         8189#         4#      B-  14080#       589#       90 960816#        429#
+  23   57   34   91 Se    x  -50580.130     433.145      8334.8382     4.7598  B-  10527.1716   433.1593   90 945700.000     465.000
+  21   56   35   91 Br -n2p  -61107.301       3.543      8441.9242     0.0389  B-   9866.6724     4.1898   90 934398.617       3.804
+  19   55   36   91 Kr    x  -70973.974       2.236      8541.7519     0.0246  B-   6771.0748     8.1153   90 923806.309       2.400
+  17   54   37   91 Rb       -77745.049       7.801      8607.5621     0.0857  B-   5906.9010     8.8732   90 916537.261       8.375
+  15   53   38   91 Sr       -83651.950       5.453      8663.8759     0.0599  B-   2699.3714     5.2468   90 910195.942       5.853
+  13   52   39   91 Y        -86351.321       1.843      8684.9421     0.0203  B-   1544.2710     1.8403   90 907298.048       1.978
+  11   51   40   91 Zr       -87895.592       0.095      8693.3149     0.0011  B-  -1257.5644     2.9243   90 905640.205       0.101
+   9   50   41   91 Nb       -86638.028       2.926      8670.8983     0.0322  B-  -4429.1934     6.7439   90 906990.256       3.140
+   7   49   42   91 Mo       -82208.834       6.238      8613.6286     0.0686  B-  -6222.1768     6.6706   90 911745.190       6.696
+   5   48   43   91 Tc       -75986.657       2.363      8536.6558     0.0260  B-  -7746.8246     3.2422   90 918424.972       2.536
+   3   47   44   91 Ru       -68239.833       2.221      8442.9287     0.0244  B-  -9670#       298#       90 926741.530       2.384
+   1   46   45   91 Rh    x  -58570#        298#         8328#         3#      B- -12400#       300#       90 937123#        320#
+  -1   45   46   91 Pd    -  -46170#        423#         8183#         5#      B-      *                   90 950435#        454#
+0 26   59   33   92 As    x  -30380#        500#         8121#         5#      B-  16344#       640#       91 967386#        537#
+  24   58   34   92 Se    x  -46724#        400#         8290#         4#      B-   9509#       400#       91 949840#        429#
+  22   57   35   92 Br    x  -56232.812       6.709      8384.9123     0.0729  B-  12536.5161     7.2322   91 939631.595       7.202
+  20   56   36   92 Kr    x  -68769.329       2.701      8512.6750     0.0294  B-   6003.1210     6.6924   91 926173.092       2.900
+  18   55   37   92 Rb       -74772.450       6.123      8569.4225     0.0666  B-   8094.9212     6.4187   91 919728.477       6.573
+  16   54   38   92 Sr       -82867.371       3.423      8648.9070     0.0372  B-   1949.1237     9.3841   91 911038.222       3.675
+  14   53   39   92 Y        -84816.494       9.127      8661.5894     0.0992  B-   3642.5294     9.1271   91 908945.752       9.798
+  12   52   40   92 Zr       -88459.024       0.094      8692.6783     0.0011  B-  -2005.7335     1.7823   91 905035.336       0.101
+  10   51   41   92 Nb       -86453.290       1.784      8662.3731     0.0194  B-    355.2968     1.7911   91 907188.580       1.915
+   8   50   42   92 Mo       -86808.587       0.157      8657.7312     0.0017  B-  -7882.8841     3.1063   91 906807.153       0.168
+   6   49   43   92 Tc       -78925.703       3.102      8563.5440     0.0337  B-  -4624.4922     4.1246   91 915269.777       3.330
+   4   48   44   92 Ru       -74301.211       2.718      8504.7740     0.0295  B- -11302.1155     5.1531   91 920234.373       2.917
+   2   47   45   92 Rh    x  -62999.095       4.378      8373.4211     0.0476  B-  -8220.0000   345.0000   91 932367.692       4.700
+   0   46   46   92 Pd    -  -54779.095     345.028      8275.5695     3.7503  B- -17249#       528#       91 941192.225     370.402
+  -2   45   47   92 Ag    x  -37530#        400#         8080#         4#      B-      *                   91 959710#        429#
+0 25   59   34   93 Se    x  -40860#        400#         8225#         4#      B-  12030#       588#       92 956135#        429#
+  23   58   35   93 Br    x  -52890.235     430.816      8345.5986     4.6324  B-  11245.7673   430.8234   92 943220.000     462.500
+  21   57   36   93 Kr    x  -64136.002       2.515      8458.1085     0.0270  B-   8483.8977     8.2243   92 931147.172       2.700
+  19   56   37   93 Rb       -72619.900       7.830      8540.9209     0.0842  B-   7465.9434     8.8761   92 922039.334       8.406
+  17   55   38   93 Sr       -80085.844       7.554      8612.7875     0.0812  B-   4141.3118    11.6972   92 914024.314       8.109
+  15   54   39   93 Y        -84227.155      10.488      8648.9054     0.1128  B-   2894.8723    10.4830   92 909578.434      11.259
+  13   53   40   93 Zr       -87122.028       0.456      8671.6207     0.0049  B-     90.8123     1.4838   92 906470.661       0.489
+  11   52   41   93 Nb       -87212.840       1.490      8664.1849     0.0160  B-   -405.7609     1.5012   92 906373.170       1.599
+   9   51   42   93 Mo   -n  -86807.079       0.181      8651.4095     0.0020  B-  -3200.9629     1.0040   92 906808.772       0.193
+   7   50   43   93 Tc   -p  -83606.116       1.012      8608.5782     0.0109  B-  -6389.3929     2.2995   92 910245.147       1.086
+   5   49   44   93 Ru       -77216.723       2.065      8531.4627     0.0222  B-  -8204.9136     3.3425   92 917104.442       2.216
+   3   48   45   93 Rh       -69011.810       2.629      8434.8255     0.0283  B- -10030.0000   370.0000   92 925912.778       2.821
+   1   47   46   93 Pd    -  -58981.810     370.009      8318.5637     3.9786  B- -12582#       545#       92 936680.426     397.221
+  -1   46   47   93 Ag    x  -46400#        401#         8175#         4#      B-      *                   92 950188#        430#
+0 26   60   34   94 Se    x  -36803#        500#         8180#         5#      B-  10846#       539#       93 960490#        537#
+  24   59   35   94 Br    x  -47650#        200#         8287#         2#      B-  13698#       201#       93 948846#        215#
+  22   58   36   94 Kr    x  -61347.780      12.109      8424.3318     0.1288  B-   7215.0114    12.2782   93 934140.452      13.000
+  20   57   37   94 Rb       -68562.791       2.029      8492.7644     0.0216  B-  10282.9297     2.6230   93 926394.819       2.177
+  18   56   38   94 Sr       -78845.721       1.663      8593.8344     0.0177  B-   3505.7517     6.4220   93 915355.641       1.785
+  16   55   39   94 Y        -82351.473       6.380      8622.8068     0.0679  B-   4917.8589     6.3799   93 911592.062       6.849
+  14   54   40   94 Zr       -87269.332       0.164      8666.8016     0.0018  B-   -900.2684     1.5000   93 906312.523       0.175
+  12   53   41   94 Nb       -86369.063       1.491      8648.9014     0.0159  B-   2045.0163     1.4937   93 907279.001       1.600
+  10   52   42   94 Mo       -88414.079       0.141      8662.3341     0.0015  B-  -4255.7476     4.0687   93 905083.586       0.151
+   8   51   43   94 Tc    -  -84158.332       4.071      8608.7373     0.0433  B-  -1574.7296     5.1433   93 909652.319       4.370
+   6   50   44   94 Ru       -82583.602       3.143      8583.6620     0.0334  B-  -9675.9789     4.6150   93 911342.860       3.374
+   4   49   45   94 Rh       -72907.623       3.379      8472.4033     0.0359  B-  -6805.3428     5.4588   93 921730.450       3.627
+   2   48   46   94 Pd    x  -66102.281       4.287      8391.6832     0.0456  B- -13700#       400#       93 929036.286       4.602
+   0   47   47   94 Ag    -  -52402#        400#         8238#         4#      B- -11962#       640#       93 943744#        429#
+  -2   46   48   94 Cd    x  -40440#        500#         8102#         5#      B-      *                   93 956586#        537#
+0 27   61   34   95 Se    x  -30460#        500#         8112#         5#      B-  13390#       583#       94 967300#        537#
+  25   60   35   95 Br    x  -43850#        300#         8245#         3#      B-  12309#       301#       94 952925#        322#
+  23   59   36   95 Kr    x  -56158.920      18.630      8365.9963     0.1961  B-   9731.3868    27.5124   94 939710.922      20.000
+  21   58   37   95 Rb       -65890.307      20.245      8460.1967     0.2131  B-   9226.9772    20.2036   94 929263.849      21.733
+  19   57   38   95 Sr       -75117.284       5.810      8549.0875     0.0612  B-   6090.6528     7.2395   94 919358.282       6.237
+  17   56   39   95 Y        -81207.937       6.779      8604.9644     0.0714  B-   4452.0031     6.7718   94 912819.697       7.277
+  15   55   40   95 Zr       -85659.940       0.869      8643.5924     0.0092  B-   1126.3312     0.9854   94 908040.276       0.933
+  13   54   41   95 Nb       -86786.272       0.508      8647.2133     0.0054  B-    925.6009     0.4938   94 906831.110       0.545
+  11   53   42   95 Mo       -87711.872       0.123      8648.7212     0.0013  B-  -1690.5175     5.0782   94 905837.436       0.132
+   9   52   43   95 Tc       -86021.355       5.080      8622.6911     0.0535  B-  -2563.5961    10.5310   94 907652.281       5.453
+   7   51   44   95 Ru       -83457.759       9.502      8587.4706     0.1000  B-  -5117.1423    10.2656   94 910404.415      10.200
+   5   50   45   95 Rh       -78340.616       3.886      8525.3707     0.0409  B-  -8374.7035     4.9281   94 915897.893       4.171
+   3   49   46   95 Pd    x  -69965.913       3.031      8428.9807     0.0319  B- -10060#       400#       94 924888.506       3.253
+   1   48   47   95 Ag    -  -59906#        400#         8315#         4#      B- -12850#       400#       94 935688#        429#
+  -1   47   48   95 Cd    -  -47056#        566#         8171#         6#      B-      *                   94 949483#        607#
+0 26   61   35   96 Br    x  -38210#        300#         8184#         3#      B-  14872#       301#       95 958980#        322#
+  24   60   36   96 Kr       -53081.682      19.277      8330.8721     0.2008  B-   8272.6693    19.5669   95 943014.473      20.695
+  22   59   37   96 Rb       -61354.351       3.353      8408.8963     0.0349  B-  11563.8970     9.1062   95 934133.398       3.599
+  20   58   38   96 Sr       -72918.248       8.466      8521.2041     0.0882  B-   5411.7380     9.7257   95 921719.045       9.089
+  18   57   39   96 Y        -78329.986       6.075      8569.4269     0.0633  B-   7108.8741     6.0740   95 915909.305       6.521
+  16   56   40   96 Zr       -85438.860       0.114      8635.3283     0.0012  B-    163.9704     0.1000   95 908277.615       0.122
+  14   55   41   96 Nb       -85602.830       0.147      8628.8868     0.0015  B-   3192.0590     0.1070   95 908101.586       0.157
+  12   54   42   96 Mo       -88794.889       0.120      8653.9880     0.0013  B-  -2973.2411     5.1450   95 904674.770       0.128
+  10   53   43   96 Tc    -  -85821.648       5.146      8614.8673     0.0536  B-    258.7369     5.1464   95 907866.675       5.524
+   8   52   44   96 Ru       -86080.385       0.170      8609.4130     0.0018  B-  -6392.6529    10.0000   95 907588.910       0.182
+   6   51   45   96 Rh    -  -79687.732      10.001      8534.6735     0.1042  B-  -3504.3127    10.8442   95 914451.705      10.737
+   4   50   46   96 Pd    x  -76183.420       4.194      8490.0207     0.0437  B- -11671.7741    90.1814   95 918213.739       4.502
+   2   49   47   96 Ag   ep  -64511.645      90.084      8360.2903     0.9384  B-  -8940#       400#       95 930743.903      96.708
+   0   48   48   96 Cd    -  -55572#        410#         8259#         4#      B- -17482#       647#       95 940341#        440#
+  -2   47   49   96 In    x  -38090#        500#         8069#         5#      B-      *                   95 959109#        537#
+0 27   62   35   97 Br    x  -34000#        400#         8140#         4#      B-  13423#       420#       96 963499#        429#
+  25   61   36   97 Kr    x  -47423.499     130.409      8269.8645     1.3444  B-  11095.6460   130.4232   96 949088.782     140.000
+  23   60   37   97 Rb       -58519.145       1.912      8376.1872     0.0197  B-  10061.5295     3.8872   96 937177.117       2.052
+  21   59   38   97 Sr       -68580.674       3.385      8471.8489     0.0349  B-   7534.7807     7.5131   96 926375.621       3.633
+  19   58   39   97 Y     +  -76115.455       6.708      8541.4616     0.0692  B-   6821.2382     6.7068   96 918286.702       7.201
+  17   57   40   97 Zr       -82936.693       0.121      8603.7182     0.0013  B-   2666.1038     4.2435   96 910963.802       0.130
+  15   56   41   97 Nb       -85602.797       4.244      8623.1384     0.0438  B-   1941.9038     4.2435   96 908101.622       4.556
+  13   55   42   97 Mo       -87544.700       0.165      8635.0926     0.0017  B-   -320.2640     4.1169   96 906016.903       0.176
+  11   54   43   97 Tc       -87224.436       4.118      8623.7254     0.0425  B-  -1103.8722     4.9563   96 906360.720       4.420
+   9   53   44   97 Ru   -n  -86120.564       2.763      8604.2799     0.0285  B-  -3523.0000    35.3553   96 907545.776       2.965
+   7   52   45   97 Rh    -  -82597.564      35.463      8559.8949     0.3656  B-  -4791.7118    35.7924   96 911327.872      38.071
+   5   51   46   97 Pd    x  -77805.852       4.844      8502.4303     0.0499  B-  -6901.8255    12.9558   96 916471.985       5.200
+   3   50   47   97 Ag    x  -70904.027      12.016      8423.2121     0.1239  B- -10170.0000   420.0000   96 923881.400      12.900
+   1   49   48   97 Cd    -  -60734.027     420.172      8310.3013     4.3317  B- -13344#       580#       96 934799.343     451.073
+  -1   48   49   97 In    x  -47390#        401#         8165#         4#      B-      *                   96 949125#        430#
+0 28   63   35   98 Br    x  -28050#        400#         8078#         4#      B-  16070#       500#       97 969887#        429#
+  26   62   36   98 Kr    x  -44120#        300#         8234#         3#      B-  10249#       300#       97 952635#        322#
+  24   61   37   98 Rb       -54369.152      16.083      8330.7294     0.1641  B-  12053.2361    16.4029   97 941632.317      17.265
+  22   60   38   98 Sr       -66422.389       3.226      8445.7385     0.0329  B-   5866.3591     8.5504   97 928692.636       3.463
+  20   59   39   98 Y  p-2n  -72288.748       7.919      8497.6162     0.0808  B-   8993.0098    11.5755   97 922394.841       8.501
+  18   58   40   98 Zr       -81281.757       8.445      8581.3984     0.0862  B-   2242.8547     9.8134   97 912740.448       9.065
+  16   57   41   98 Nb  -pn  -83524.612       5.001      8596.3016     0.0510  B-   4591.3681     5.0032   97 910332.645       5.369
+  14   56   42   98 Mo       -88115.980       0.174      8635.1691     0.0018  B-  -1683.7664     3.3768   97 905403.609       0.186
+  12   55   43   98 Tc       -86432.214       3.380      8610.0047     0.0345  B-   1792.6575     7.1568   97 907211.206       3.628
+  10   54   44   98 Ru       -88224.871       6.463      8620.3140     0.0659  B-  -5049.6529    10.0000   97 905286.709       6.937
+   8   53   45   98 Rh    -  -83175.219      11.906      8560.8038     0.1215  B-  -1854.2331    12.8161   97 910707.734      12.782
+   6   52   46   98 Pd       -81320.985       4.742      8533.8999     0.0484  B-  -8254.5607    33.0975   97 912698.335       5.090
+   4   51   47   98 Ag       -73066.425      32.907      8441.6866     0.3358  B-  -5430.0000    40.0000   97 921559.970      35.327
+   2   50   48   98 Cd    -  -67636.425      51.797      8378.2953     0.5285  B- -13730#       300#       97 927389.315      55.605
+   0   49   49   98 In    -  -53906#        304#         8230#         3#      B-      *                   97 942129#        327#
+0 27   63   36   99 Kr    x  -38400#        400#         8175#         4#      B-  12721#       400#       98 958776#        429#
+  25   62   37   99 Rb    x  -51121.150       4.031      8295.3010     0.0407  B-  11397.3767     6.2201   98 945119.190       4.327
+  23   61   38   99 Sr       -62518.527       4.737      8402.5235     0.0479  B-   8125.2037     8.1353   98 932883.604       5.085
+  21   60   39   99 Y     x  -70643.730       6.615      8476.6938     0.0668  B-   6972.9398    12.4082   98 924160.839       7.101
+  19   59   40   99 Zr       -77616.670      10.499      8539.2250     0.1061  B-   4718.6736    15.9474   98 916675.081      11.271
+  17   58   41   99 Nb   +p  -82335.344      12.004      8578.9859     0.1213  B-   3634.7623    12.0059   98 911609.377      12.886
+  15   57   42   99 Mo       -85970.106       0.229      8607.7982     0.0023  B-   1357.7631     0.8905   98 907707.299       0.245
+  13   56   43   99 Tc       -87327.869       0.908      8613.6105     0.0092  B-    297.5156     0.9453   98 906249.681       0.974
+  11   55   44   99 Ru       -87625.385       0.343      8608.7132     0.0035  B-  -2040.8632    19.4529   98 905930.284       0.368
+   9   54   45   99 Rh       -85584.522      19.451      8580.1959     0.1965  B-  -3401.6603    18.9153   98 908121.241      20.881
+   7   53   46   99 Pd       -82182.861       5.107      8537.9332     0.0516  B-  -5470.3785     8.0829   98 911773.073       5.482
+   5   52   47   99 Ag    x  -76712.483       6.265      8474.7744     0.0633  B-  -6781.3511     6.4622   98 917645.766       6.725
+   3   51   48   99 Cd    x  -69931.132       1.584      8398.3734     0.0160  B-  -8555#       298#       98 924925.845       1.700
+   1   50   49   99 In    x  -61376#        298#         8304#         3#      B- -13400#       500#       98 934110#        320#
+  -1   49   50   99 Sn    -  -47976#        582#         8161#         6#      B-      *                   98 948495#        625#
+0 28   64   36  100 Kr    x  -34470#        400#         8134#         4#      B-  11796#       400#       99 962995#        429#
+  26   63   37  100 Rb       -46265.884      13.124      8244.5085     0.1312  B-  13551.6204    14.8355   99 950331.532      14.089
+  24   62   38  100 Sr       -59817.505       6.918      8372.2012     0.0692  B-   7503.7365    13.1453   99 935783.270       7.426
+  22   61   39  100 Y     x  -67321.241      11.179      8439.4151     0.1118  B-   9051.4949    13.8293   99 927727.678      12.000
+  20   60   40  100 Zr       -76372.736       8.143      8522.1066     0.0814  B-   3418.5098    11.3976   99 918010.499       8.742
+  18   59   41  100 Nb   IT  -79791.246       7.976      8548.4683     0.0798  B-   6401.7829     7.9817   99 914340.578       8.562
+  16   58   42  100 Mo       -86193.029       0.301      8604.6626     0.0030  B-   -172.0776     1.3704   99 907467.982       0.322
+  14   57   43  100 Tc   -n  -86020.951       1.351      8595.1184     0.0135  B-   3206.4401     1.3760   99 907652.715       1.450
+  12   56   44  100 Ru       -89227.391       0.342      8619.3593     0.0034  B-  -3636.2612    18.1231   99 904210.460       0.367
+  10   55   45  100 Rh       -85591.130      18.125      8575.1732     0.1813  B-   -378.4577    25.2879   99 908114.147      19.458
+   8   54   46  100 Pd       -85212.672      17.637      8563.5652     0.1764  B-  -7074.7030    18.3319   99 908520.438      18.934
+   6   53   47  100 Ag    x  -78137.969       5.000      8484.9947     0.0500  B-  -3943.3740     5.2735   99 916115.443       5.367
+   4   52   48  100 Cd    x  -74194.595       1.677      8437.7375     0.0168  B- -10016.4492     2.7945   99 920348.829       1.800
+   2   51   49  100 In    x  -64178.146       2.236      8329.7495     0.0224  B-  -7030.0000   240.0000   99 931101.929       2.400
+   0   50   50  100 Sn    -  -57148.146     240.010      8251.6260     2.4001  B-      *                   99 938648.944     257.661
+0 29   65   36  101 Kr    x  -28580#        500#         8075#         5#      B-  13987#       501#      100 969318#        537#
+  27   64   37  101 Rb    x  -42567.417      20.493      8206.1753     0.2029  B-  12757.4969    22.1781  100 954302.000      22.000
+  25   63   38  101 Sr    x  -55324.914       8.480      8324.7411     0.0840  B-   9729.8721    11.0473  100 940606.264       9.103
+  23   62   39  101 Y     x  -65054.787       7.080      8413.3305     0.0701  B-   8106.2003    10.9331  100 930160.817       7.601
+  21   61   40  101 Zr       -73160.987       8.332      8485.8439     0.0825  B-   5730.5011     9.1366  100 921458.454       8.944
+  19   60   41  101 Nb    x  -78891.488       3.749      8534.8355     0.0371  B-   4628.4637     3.7378  100 915306.508       4.024
+  17   59   42  101 Mo   -n  -83519.952       0.308      8572.9159     0.0031  B-   2824.6411    24.0018  100 910337.648       0.331
+  15   58   43  101 Tc    +  -86344.593      24.004      8593.1366     0.2377  B-   1613.5200    24.0000  100 907305.271      25.768
+  13   57   44  101 Ru       -87958.113       0.413      8601.3660     0.0041  B-   -545.6846     5.8518  100 905573.086       0.443
+  11   56   45  101 Rh       -87412.428       5.841      8588.2172     0.0578  B-  -1980.2833     3.9027  100 906158.903       6.270
+   9   55   46  101 Pd       -85432.145       4.588      8560.8644     0.0454  B-  -4097.7606     6.6679  100 908284.824       4.925
+   7   54   47  101 Ag    x  -81334.384       4.838      8512.5465     0.0479  B-  -5497.9186     5.0625  100 912683.951       5.193
+   5   53   48  101 Cd    x  -75836.466       1.490      8450.3657     0.0148  B-  -7291.5642    11.7569  100 918586.209       1.600
+   3   52   49  101 In    x  -68544.901      11.662      8370.4260     0.1155  B-  -8239.2770   300.2313  100 926414.025      12.519
+   1   51   50  101 Sn   ep  -60305.624     300.005      8281.1030     2.9703  B-      *                  100 935259.252     322.068
+0 28   65   37  102 Rb    x  -37252.312      82.903      8152.7443     0.8128  B-  14906.9991   106.6347  101 960008.000      89.000
+  26   64   38  102 Sr    x  -52159.311      67.068      8291.2213     0.6575  B-   9013.3301    67.1916  101 944004.679      72.000
+  24   63   39  102 Y     x  -61172.641       4.081      8371.9172     0.0400  B-  10408.7856     9.6618  101 934328.471       4.381
+  22   62   40  102 Zr       -71581.427       8.758      8466.2940     0.0859  B-   4716.8380     9.0530  101 923154.181       9.401
+  20   61   41  102 Nb       -76298.265       2.511      8504.8675     0.0246  B-   7262.6008     8.6750  101 918090.447       2.695
+  18   60   42  102 Mo       -83560.866       8.305      8568.3994     0.0814  B-   1012.0557    12.3682  101 910293.725       8.916
+  16   59   43  102 Tc       -84572.921       9.166      8570.6514     0.0899  B-   4533.5134     9.1646  101 909207.239       9.840
+  14   58   44  102 Ru       -89106.435       0.416      8607.4275     0.0041  B-  -2323.1187     6.3960  101 904340.312       0.446
+  12   57   45  102 Rh    -  -86783.316       6.410      8576.9818     0.0628  B-   1119.6470     6.3962  101 906834.282       6.880
+  10   56   46  102 Pd       -87902.963       0.419      8580.2887     0.0041  B-  -5656.2615     8.1816  101 905632.292       0.449
+   8   55   47  102 Ag    +  -82246.702       8.171      8517.1650     0.0801  B-  -2587.0000     8.0000  101 911704.538       8.771
+   6   54   48  102 Cd       -79659.702       1.662      8484.1322     0.0163  B-  -8964.8059     4.8654  101 914481.797       1.784
+   4   53   49  102 In       -70694.896       4.573      8388.5719     0.0448  B-  -5760.0000   100.0000  101 924105.911       4.909
+   2   52   50  102 Sn    -  -64934.896     100.105      8324.4313     0.9814  B- -13835#       412#      101 930289.525     107.466
+   0   51   51  102 Sb    x  -51100#        400#         8181#         4#      B-      *                  101 945142#        429#
+0 29   66   37  103 Rb    x  -33160#        400#         8112#         4#      B-  14120#       447#      102 964401#        429#
+  27   65   38  103 Sr    x  -47280#        200#         8242#         2#      B-  11177#       201#      102 949243#        215#
+  25   64   39  103 Y     x  -58457.034      11.206      8342.6336     0.1088  B-   9351.9600    14.5130  102 937243.796      12.029
+  23   63   40  103 Zr    x  -67808.993       9.223      8425.8337     0.0895  B-   7219.6740    10.0270  102 927204.054       9.900
+  21   62   41  103 Nb    x  -75028.667       3.935      8488.3320     0.0382  B-   5925.6639    10.0270  102 919453.416       4.224
+  19   61   42  103 Mo    x  -80954.331       9.223      8538.2672     0.0895  B-   3649.5889    13.4648  102 913091.954       9.900
+  17   60   43  103 Tc   +p  -84603.920       9.810      8566.1045     0.0952  B-   2663.2474     9.8086  102 909173.960      10.531
+  15   59   44  103 Ru       -87267.168       0.441      8584.3656     0.0043  B-    764.5378     2.2598  102 906314.846       0.473
+  13   58   45  103 Rh       -88031.705       2.301      8584.1927     0.0223  B-   -574.7252     2.3928  102 905494.081       2.470
+  11   57   46  103 Pd   -n  -87456.980       0.878      8571.0173     0.0085  B-  -2654.2778     4.1916  102 906111.074       0.942
+   9   56   47  103 Ag    x  -84802.702       4.099      8537.6520     0.0398  B-  -4151.0761     4.4806  102 908960.558       4.400
+   7   55   48  103 Cd       -80651.626       1.811      8489.7547     0.0176  B-  -6019.2293     9.1242  102 913416.922       1.943
+   5   54   49  103 In       -74632.397       8.980      8423.7199     0.0872  B-  -7540#       100#      102 919878.830       9.640
+   3   53   50  103 Sn    -  -67092#        100#         8343#         1#      B- -10422#       316#      102 927973#        108#
+   1   52   51  103 Sb    x  -56670#        300#         8234#         3#      B-      *                  102 939162#        322#
+0 30   67   37  104 Rb    x  -27450#        500#         8057#         5#      B-  16310#       583#      103 970531#        537#
+  28   66   38  104 Sr    x  -43760#        300#         8206#         3#      B-  10320#       361#      103 953022#        322#
+  26   65   39  104 Y     x  -54080#        200#         8298#         2#      B-  11638#       200#      103 941943#        215#
+  24   64   40  104 Zr    x  -65717.660       9.316      8402.3159     0.0896  B-   6093.3367     9.4851  103 929449.193      10.000
+  22   63   41  104 Nb    x  -71810.997       1.784      8453.3832     0.0172  B-   8532.7512     9.0879  103 922907.728       1.915
+  20   62   42  104 Mo       -80343.748       8.911      8527.9063     0.0857  B-   2155.2212    24.1665  103 913747.443       9.566
+  18   61   43  104 Tc       -82498.969      24.886      8541.1070     0.2393  B-   5596.7945    24.9370  103 911433.718      26.716
+  16   60   44  104 Ru       -88095.763       2.498      8587.3998     0.0240  B-  -1136.4195     3.3643  103 905425.312       2.682
+  14   59   45  104 Rh   -n  -86959.344       2.303      8568.9501     0.0221  B-   2435.7789     2.6595  103 906645.309       2.471
+  12   58   46  104 Pd   +n  -89395.123       1.336      8584.8485     0.0129  B-  -4278.6529     4.0000  103 904030.393       1.434
+  10   57   47  104 Ag    -  -85116.470       4.217      8536.1850     0.0406  B-  -1148.0787     4.5370  103 908623.715       4.527
+   8   56   48  104 Cd       -83968.391       1.673      8517.6232     0.0161  B-  -7785.7166     6.0127  103 909856.228       1.795
+   6   55   49  104 In    x  -76182.675       5.775      8435.2380     0.0555  B-  -4555.6174     8.1461  103 918214.538       6.200
+   4   54   50  104 Sn       -71627.057       5.745      8383.9114     0.0552  B- -12332#       102#      103 923105.195       6.167
+   2   53   51  104 Sb   +a  -59295#        101#         8258#         1#      B-  -9668#       333#      103 936344#        109#
+   0   52   52  104 Te   -a  -49626.831     317.609      8157.3256     3.0539  B-      *                  103 946723.408     340.967
+0 29   67   38  105 Sr    x  -38190#        500#         8152#         5#      B-  12380#       640#      104 959001#        537#
+  27   66   39  105 Y     x  -50570#        400#         8262#         4#      B-  10888#       400#      104 945711#        429#
+  25   65   40  105 Zr    x  -61458.274      12.110      8358.5980     0.1153  B-   8457.2728    12.7625  104 934021.832      13.000
+  23   64   41  105 Nb    x  -69915.547       4.028      8431.6925     0.0384  B-   7415.2411     9.9106  104 924942.577       4.324
+  21   63   42  105 Mo       -77330.788       9.055      8494.8630     0.0862  B-   4955.5157    35.0307  104 916981.989       9.721
+  19   62   43  105 Tc       -82286.303      35.263      8534.6074     0.3358  B-   3648.2396    35.2787  104 911662.024      37.856
+  17   61   44  105 Ru       -85934.543       2.499      8561.9016     0.0238  B-   1916.7271     2.8508  104 907745.478       2.683
+  15   60   45  105 Rh       -87851.270       2.502      8572.7053     0.0238  B-    566.6347     2.3459  104 905687.787       2.685
+  13   59   46  105 Pd       -88417.905       1.138      8570.6509     0.0108  B-  -1347.0564     4.6695  104 905079.479       1.222
+  11   58   47  105 Ag       -87070.848       4.544      8550.3708     0.0433  B-  -2736.9989     4.3618  104 906525.604       4.877
+   9   57   48  105 Cd       -84333.849       1.392      8516.8532     0.0133  B-  -4693.2673    10.3405  104 909463.893       1.494
+   7   56   49  105 In    x  -79640.582      10.246      8464.7045     0.0976  B-  -6302.5807    10.9891  104 914502.322      11.000
+   5   55   50  105 Sn       -73338.001       3.971      8397.2290     0.0378  B-  -9322.5103    22.1849  104 921268.421       4.263
+   3   54   51  105 Sb   +a  -64015.491      21.827      8300.9923     0.2079  B- -11203.9825   300.8126  104 931276.547      23.431
+   1   53   52  105 Te   -a  -52811.509     300.020      8186.8368     2.8573  B-      *                  104 943304.516     322.084
+0 30   68   38  106 Sr    x  -34300#        600#         8114#         6#      B-  11490#       781#      105 963177#        644#
+  28   67   39  106 Y     x  -45790#        500#         8215#         5#      B-  12959#       539#      105 950842#        537#
+  26   66   40  106 Zr    x  -58749#        200#         8330#         2#      B-   7453#       200#      105 936930#        215#
+  24   65   41  106 Nb       -66202.678       1.416      8393.2657     0.0134  B-   9925.3249     9.2388  105 928928.505       1.520
+  22   64   42  106 Mo    x  -76128.003       9.130      8479.5202     0.0861  B-   3648.2494    15.2778  105 918273.231       9.801
+  20   63   43  106 Tc    +  -79776.253      12.250      8506.5570     0.1156  B-   6547.0000    11.0000  105 914356.674      13.150
+  18   62   44  106 Ru       -86323.253       5.391      8560.9406     0.0509  B-     39.4038     0.2121  105 907328.181       5.787
+  16   61   45  106 Rh       -86362.656       5.390      8553.9317     0.0508  B-   3544.8865     5.3348  105 907285.879       5.786
+  14   60   46  106 Pd       -89907.543       1.106      8579.9934     0.0104  B-  -2965.1434     2.8172  105 903480.287       1.186
+  12   59   47  106 Ag       -86942.399       3.016      8544.6397     0.0285  B-    189.7534     2.8190  105 906663.499       3.237
+  10   58   48  106 Cd       -87132.153       1.104      8539.0492     0.0104  B-  -6524.0031    12.1765  105 906459.791       1.184
+   8   57   49  106 In    -  -80608.150      12.226      8470.1213     0.1153  B-  -3254.4521    13.2439  105 913463.596      13.125
+   6   56   50  106 Sn       -77353.698       5.091      8432.0383     0.0480  B- -10880.3964     9.0249  105 916957.394       5.465
+   4   55   51  106 Sb    x  -66473.301       7.452      8322.0124     0.0703  B-  -8253.5423   100.8163  105 928637.979       8.000
+   2   54   52  106 Te   -a  -58219.759     100.541      8236.7682     0.9485  B- -14920#       412#      105 937498.521     107.934
+   0   53   53  106 I     x  -43300#        400#         8089#         4#      B-      *                  105 953516#        429#
+0 31   69   38  107 Sr    x  -28250#        700#         8057#         7#      B-  13720#       860#      106 969672#        751#
+  29   68   39  107 Y     x  -41970#        500#         8178#         5#      B-  12050#       583#      106 954943#        537#
+  27   67   40  107 Zr    x  -54020#        300#         8284#         3#      B-   9704#       300#      106 942007#        322#
+  25   66   41  107 Nb    x  -63723.805       8.023      8367.0898     0.0750  B-   8821.1703    12.2239  106 931589.685       8.612
+  23   65   42  107 Mo    x  -72544.975       9.223      8442.2190     0.0862  B-   6204.9921    12.6599  106 922119.770       9.901
+  21   64   43  107 Tc    x  -78749.967       8.673      8492.8979     0.0811  B-   5112.5985    11.7243  106 915458.437       9.310
+  19   63   44  107 Ru  -nn  -83862.565       8.673      8533.3676     0.0811  B-   3001.1457    14.8473  106 909969.837       9.310
+  17   62   45  107 Rh   +p  -86863.711      12.051      8554.1040     0.1126  B-   1508.9427    12.1108  106 906747.975      12.937
+  15   61   46  107 Pd       -88372.654       1.201      8560.8946     0.0112  B-     34.0458     2.3174  106 905128.058       1.289
+  13   60   47  107 Ag       -88406.700       2.382      8553.9012     0.0223  B-  -1416.3741     2.5654  106 905091.509       2.556
+  11   59   48  107 Cd       -86990.325       1.660      8533.3524     0.0155  B-  -3423.6586     9.5800  106 906612.049       1.782
+   9   58   49  107 In       -83566.667       9.654      8494.0439     0.0902  B-  -5054.4281    11.0175  106 910287.497      10.363
+   7   57   50  107 Sn    x  -78512.239       5.310      8439.4946     0.0496  B-  -7858.9903     6.7377  106 915713.649       5.700
+   5   56   51  107 Sb       -70653.248       4.148      8358.7344     0.0388  B-  -9996#       101#      106 924150.621       4.452
+   3   55   52  107 Te   -a  -60657#        101#         8258#         1#      B- -11227#       316#      106 934882#        108#
+   1   54   53  107 I     x  -49430#        300#         8146#         3#      B-      *                  106 946935#        322#
+0 30   69   39  108 Y     x  -36780#        600#         8129#         6#      B-  14170#       721#      107 960515#        644#
+  28   68   40  108 Zr    x  -50950#        400#         8253#         4#      B-   8595#       400#      107 945303#        429#
+  26   67   41  108 Nb    x  -59545.198       8.239      8325.6604     0.0763  B-  11204.0998    12.3668  107 936075.604       8.844
+  24   66   42  108 Mo    x  -70749.297       9.223      8422.1581     0.0854  B-   5173.5330    12.7262  107 924047.508       9.901
+  22   65   43  108 Tc    x  -75922.831       8.769      8462.8172     0.0812  B-   7738.5736    11.7903  107 918493.493       9.413
+  20   64   44  108 Ru  -3n  -83661.404       8.680      8527.2267     0.0804  B-   1369.7517    16.4699  107 910185.793       9.318
+  18   63   45  108 Rh    x  -85031.156      13.997      8532.6657     0.1296  B-   4493.0596    14.0405  107 908715.304      15.026
+  16   62   46  108 Pd       -89524.215       1.108      8567.0241     0.0103  B-  -1917.4238     2.6323  107 903891.806       1.189
+  14   61   47  108 Ag   -n  -87606.792       2.388      8542.0262     0.0221  B-   1645.6311     2.6386  107 905950.245       2.563
+  12   60   48  108 Cd       -89252.423       1.123      8550.0196     0.0104  B-  -5132.5944     8.5845  107 904183.588       1.205
+  10   59   49  108 In       -84119.828       8.641      8495.2516     0.0800  B-  -2049.8794     9.8365  107 909693.654       9.276
+   8   58   50  108 Sn       -82069.949       5.382      8469.0273     0.0498  B-  -9624.6079     7.6925  107 911894.290       5.778
+   6   57   51  108 Sb    x  -72445.341       5.496      8372.6666     0.0509  B-  -6663.6646     7.7125  107 922226.731       5.900
+   4   56   52  108 Te       -65781.676       5.411      8303.7221     0.0501  B- -13011#       101#      107 929380.469       5.808
+   2   55   53  108 I    -p  -52771#        101#         8176#         1#      B- -10139#       393#      107 943348#        109#
+   0   54   54  108 Xe   -a  -42632.357     379.497      8074.8886     3.5139  B-      *                  107 954232.285     407.406
+0 31   70   39  109 Y     x  -32480#        700#         8089#         6#      B-  13250#       860#      108 965131#        751#
+  29   69   40  109 Zr    x  -45730#        500#         8204#         5#      B-  10960#       660#      108 950907#        537#
+  27   68   41  109 Nb    x  -56689.800     430.816      8297.1307     3.9524  B-   9969.4851   430.9610  108 939141.000     462.500
+  25   67   42  109 Mo    x  -66659.285      11.179      8381.4163     0.1026  B-   7623.5438    14.7805  108 928438.318      12.000
+  23   66   43  109 Tc    x  -74282.828       9.669      8444.1796     0.0887  B-   6455.6267    12.6574  108 920254.107      10.380
+  21   65   44  109 Ru  -4n  -80738.455       8.954      8496.2280     0.0821  B-   4260.7958     9.8229  108 913323.707       9.612
+  19   64   45  109 Rh       -84999.251       4.040      8528.1404     0.0371  B-   2607.2327     4.1874  108 908749.555       4.336
+  17   63   46  109 Pd       -87606.484       1.114      8544.8825     0.0102  B-   1112.9469     1.4024  108 905950.576       1.195
+  15   62   47  109 Ag       -88719.431       1.287      8547.9155     0.0118  B-   -215.1002     1.7795  108 904755.778       1.381
+  13   61   48  109 Cd       -88504.330       1.536      8538.7646     0.0141  B-  -2014.8047     4.0662  108 904986.697       1.649
+  11   60   49  109 In       -86489.526       3.969      8513.1027     0.0364  B-  -3859.3453     8.8866  108 907149.679       4.261
+   9   59   50  109 Sn       -82630.180       7.949      8470.5183     0.0729  B-  -6379.1940     8.8074  108 911292.857       8.533
+   7   58   51  109 Sb       -76250.986       5.265      8404.8161     0.0483  B-  -8535.5871     6.8502  108 918141.203       5.652
+   5   57   52  109 Te       -67715.399       4.382      8319.3305     0.0402  B- -10042.8941     8.0301  108 927304.532       4.704
+   3   56   53  109 I    -p  -57672.505       6.729      8220.0164     0.0617  B- -11502.9589   300.1831  108 938086.022       7.223
+   1   55   54  109 Xe   -a  -46169.546     300.108      8107.3071     2.7533  B-      *                  108 950434.955     322.178
+0 30   70   40  110 Zr    x  -42220#        500#         8171#         5#      B-  10090#       976#      109 954675#        537#
+  28   69   41  110 Nb    x  -52309.914     838.345      8255.2607     7.6213  B-  12225.9002   838.6945  109 943843.000     900.000
+  26   68   42  110 Mo    x  -64535.814      24.219      8359.2930     0.2202  B-   6498.7491    26.0147  109 930717.956      26.000
+  24   67   43  110 Tc    x  -71034.564       9.497      8411.2603     0.0863  B-   9038.0654    12.5086  109 923741.263      10.195
+  22   66   44  110 Ru       -80072.629       8.924      8486.3123     0.0811  B-   2756.0638    19.4044  109 914038.501       9.580
+  20   65   45  110 Rh       -82828.693      17.805      8504.2551     0.1619  B-   5502.2116    17.7967  109 911079.745      19.114
+  18   64   46  110 Pd       -88330.904       0.612      8547.1630     0.0056  B-   -873.5982     1.3777  109 905172.878       0.657
+  16   63   47  110 Ag       -87457.306       1.286      8532.1089     0.0117  B-   2890.6633     1.2771  109 906110.724       1.380
+  14   62   48  110 Cd       -90347.969       0.380      8551.2755     0.0035  B-  -3878.0000    11.5470  109 903007.470       0.407
+  12   61   49  110 In    -  -86469.969      11.553      8508.9087     0.1050  B-   -627.9769    17.9802  109 907170.674      12.402
+  10   60   50  110 Sn    x  -85841.993      13.777      8496.0875     0.1252  B-  -8392.2480    15.0117  109 907844.835      14.790
+   8   59   51  110 Sb    x  -77449.745       5.962      8412.6821     0.0542  B-  -5219.9240     8.8753  109 916854.283       6.400
+   6   58   52  110 Te       -72229.821       6.575      8358.1160     0.0598  B- -11761.9766    62.2875  109 922458.102       7.058
+   4   57   53  110 I    -a  -60467.844      61.940      8244.0767     0.5631  B-  -8545.2075   118.4700  109 935085.102      66.494
+   2   56   54  110 Xe   -a  -51922.636     100.988      8159.2808     0.9181  B-      *                  109 944258.759     108.415
+0 31   71   40  111 Zr    x  -36480#        600#         8118#         5#      B-  12480#       671#      110 960837#        644#
+  29   70   41  111 Nb    x  -48960#        300#         8223#         3#      B-  10980#       300#      110 947439#        322#
+  27   69   42  111 Mo    +  -59939.813      12.578      8315.2932     0.1133  B-   9084.8620     6.7999  110 935651.966      13.503
+  25   68   43  111 Tc    x  -69024.675      10.582      8390.0906     0.0953  B-   7760.6500    13.8477  110 925898.966      11.359
+  23   67   44  111 Ru    x  -76785.325       9.682      8452.9582     0.0872  B-   5518.5456    11.8621  110 917567.566      10.394
+  21   66   45  111 Rh       -82303.871       6.853      8495.6267     0.0617  B-   3682.0153     6.8899  110 911643.164       7.356
+  19   65   46  111 Pd   -n  -85985.886       0.731      8521.7498     0.0066  B-   2229.5607     1.5721  110 907690.358       0.785
+  17   64   47  111 Ag    +  -88215.447       1.459      8534.7878     0.0131  B-   1036.8000     1.4142  110 905296.827       1.565
+  15   63   48  111 Cd       -89252.247       0.357      8537.0801     0.0032  B-   -860.1972     3.4170  110 904183.776       0.383
+  13   62   49  111 In       -88392.050       3.424      8522.2824     0.0308  B-  -2453.4692     6.3368  110 905107.236       3.675
+  11   61   50  111 Sn   +n  -85938.581       5.336      8493.1310     0.0481  B-  -5101.8340    10.3337  110 907741.143       5.728
+   9   60   51  111 Sb    x  -80836.747       8.849      8440.1203     0.0797  B-  -7249.2597    10.9370  110 913218.187       9.500
+   7   59   52  111 Te    x  -73587.487       6.427      8367.7635     0.0579  B-  -8633.6922     7.9943  110 921000.587       6.900
+   5   58   53  111 I        -64953.795       4.754      8282.9343     0.0428  B- -10434#       116#      110 930269.236       5.103
+   3   57   54  111 Xe   -a  -54520#        115#         8182#         1#      B- -11620#       231#      110 941470#        124#
+   1   56   55  111 Cs    x  -42900#        200#         8070#         2#      B-      *                  110 953945#        215#
+0 32   72   40  112 Zr    x  -32420#        700#         8081#         6#      B-  11650#       761#      111 965196#        751#
+  30   71   41  112 Nb    x  -44070#        300#         8178#         3#      B-  13410#       361#      111 952689#        322#
+  28   70   42  112 Mo    x  -57480#        200#         8291#         2#      B-   7779#       200#      111 938293#        215#
+  26   69   43  112 Tc    x  -65258.932       5.515      8353.6217     0.0492  B-  10371.9409    11.0602  111 929941.658       5.920
+  24   68   44  112 Ru    x  -75630.873       9.600      8439.2431     0.0857  B-   4100.1790    45.1185  111 918806.922      10.305
+  22   67   45  112 Rh       -79731.052      44.085      8468.8666     0.3936  B-   6589.9874    43.9269  111 914405.199      47.327
+  20   66   46  112 Pd       -86321.039       6.546      8520.7205     0.0584  B-    262.6897     6.9799  111 907330.557       7.027
+  18   65   47  112 Ag    x  -86583.729       2.422      8516.0807     0.0216  B-   3991.1283     2.4348  111 907048.548       2.600
+  16   64   48  112 Cd       -90574.857       0.250      8544.7306     0.0022  B-  -2584.7306     4.2434  111 902763.896       0.268
+  14   63   49  112 In       -87990.127       4.251      8514.6674     0.0380  B-    664.9224     4.2434  111 905538.718       4.563
+  12   62   50  112 Sn       -88655.049       0.294      8513.6189     0.0026  B-  -7056.0760    17.8317  111 904824.894       0.315
+  10   61   51  112 Sb    x  -81598.973      17.829      8443.6330     0.1592  B-  -4031.4550    19.7019  111 912399.903      19.140
+   8   60   52  112 Te    x  -77567.518       8.383      8400.6527     0.0749  B- -10504.1795    13.2390  111 916727.848       9.000
+   6   59   53  112 I     x  -67063.339      10.246      8299.8801     0.0915  B-  -7036.9910    13.1754  111 928004.548      11.000
+   4   58   54  112 Xe   -a  -60026.348       8.283      8230.0646     0.0740  B- -13612#       116#      111 935559.068       8.891
+   2   57   55  112 Cs   -p  -46415#        116#         8102#         1#      B-      *                  111 950172#        124#
+0 33   73   40  113 Zr    x  -26340#        300#         8027#         3#      B-  13870#       500#      112 971723#        322#
+  31   72   41  113 Nb    x  -40210#        400#         8143#         4#      B-  12440#       500#      112 956833#        429#
+  29   71   42  113 Mo    x  -52650#        300#         8246#         3#      B-  10162#       300#      112 943478#        322#
+  27   70   43  113 Tc    x  -62811.549       3.353      8329.4652     0.0297  B-   9056.2674    38.4285  112 932569.032       3.600
+  25   69   44  113 Ru       -71867.816      38.282      8402.6857     0.3388  B-   6899.1276    38.9406  112 922846.729      41.097
+  23   68   45  113 Rh    x  -78766.944       7.132      8456.8165     0.0631  B-   4823.5559     9.8809  112 915440.212       7.656
+  21   67   46  113 Pd    x  -83590.500       6.947      8492.5795     0.0615  B-   3436.3252    18.0341  112 910261.912       7.458
+  19   66   47  113 Ag    +  -87026.825      16.643      8516.0660     0.1473  B-   2016.4615    16.6410  112 906572.865      17.866
+  17   65   48  113 Cd       -89043.286       0.245      8526.9874     0.0022  B-    323.8370     0.2653  112 904408.105       0.262
+  15   64   49  113 In       -89367.123       0.188      8522.9297     0.0017  B-  -1038.9941     1.5733  112 904060.451       0.202
+  13   63   50  113 Sn       -88328.129       1.575      8506.8117     0.0139  B-  -3911.1637    17.1206  112 905175.857       1.690
+  11   62   51  113 Sb    -  -84416.966      17.193      8465.2762     0.1521  B-  -6069.9281    32.8102  112 909374.664      18.457
+   9   61   52  113 Te    x  -78347.037      27.945      8404.6366     0.2473  B-  -7227.5210    29.0704  112 915891.000      30.000
+   7   60   53  113 I     x  -71119.517       8.011      8333.7528     0.0709  B-  -8915.8902    10.5334  112 923650.062       8.600
+   5   59   54  113 Xe       -62203.626       6.840      8247.9277     0.0605  B- -10439.0876    10.9702  112 933221.663       7.342
+   3   58   55  113 Cs   -p  -51764.539       8.577      8148.6230     0.0759  B- -12055#       300#      112 944428.484       9.207
+   1   57   56  113 Ba    x  -39710#        300#         8035#         3#      B-      *                  112 957370#        322#
+0 32   73   41  114 Nb    x  -34960#        500#         8097#         4#      B-  14720#       583#      113 962469#        537#
+  30   72   42  114 Mo    x  -49680#        300#         8219#         3#      B-   8920#       527#      113 946666#        322#
+  28   71   43  114 Tc    x  -58600.294     433.145      8290.2599     3.7995  B-  11620.9190   433.1594  113 937090.000     465.000
+  26   70   44  114 Ru    x  -70221.213       3.556      8385.3351     0.0312  B-   5489.0622    71.6432  113 924614.430       3.817
+  24   69   45  114 Rh       -75710.275      71.561      8426.6221     0.6277  B-   7780.0712    71.8915  113 918721.680      76.824
+  22   68   46  114 Pd    x  -83490.346       6.948      8488.0056     0.0610  B-   1440.4642     8.3133  113 910369.430       7.459
+  20   67   47  114 Ag    x  -84930.811       4.564      8493.7786     0.0400  B-   5084.1233     4.5727  113 908823.029       4.900
+  18   66   48  114 Cd       -90014.934       0.276      8531.5135     0.0024  B-  -1445.1268     0.3817  113 903364.998       0.296
+  16   65   49  114 In       -88569.807       0.301      8511.9742     0.0027  B-   1989.9281     0.3018  113 904916.405       0.323
+  14   64   50  114 Sn       -90559.735       0.029      8522.5671     0.0004  B-  -6063.1189    19.7724  113 902780.130       0.031
+  12   63   51  114 Sb       -84496.616      19.772      8462.5191     0.1734  B-  -2606.9398    31.4275  113 909289.155      21.226
+  10   62   52  114 Te    x  -81889.676      24.428      8432.7885     0.2143  B-  -9250.7417    31.5883  113 912087.820      26.224
+   8   61   53  114 I     x  -72638.935      20.027      8344.7790     0.1757  B-  -5553.0360    22.9354  113 922018.900      21.500
+   6   60   54  114 Xe    x  -67085.899      11.178      8289.2054     0.0981  B- -12399.9706    85.7989  113 927980.329      12.000
+   4   59   55  114 Cs   -a  -54685.928      85.068      8173.5711     0.7462  B-  -8780.4915   133.3375  113 941292.244      91.323
+   2   58   56  114 Ba   -a  -45905.437     102.676      8089.6865     0.9007  B-      *                  113 950718.489     110.227
+0 33   74   41  115 Nb    x  -30880#        500#         8061#         4#      B-  13670#       640#      114 966849#        537#
+  31   73   42  115 Mo    x  -44550#        400#         8173#         3#      B-  11247#       445#      114 952174#        429#
+  29   72   43  115 Tc    x  -55796#        196#         8264#         2#      B-  10309#       197#      114 940100#        210#
+  27   71   44  115 Ru    x  -66105.296      25.166      8346.8140     0.2188  B-   8123.9327    26.1788  114 929033.049      27.016
+  25   70   45  115 Rh    x  -74229.228       7.319      8410.6538     0.0636  B-   6196.5938    15.3503  114 920311.649       7.857
+  23   69   46  115 Pd       -80425.822      13.547      8457.7342     0.1178  B-   4556.7647    21.6496  114 913659.333      14.543
+  21   68   47  115 Ag       -84982.587      18.268      8490.5553     0.1589  B-   3101.8930    18.2744  114 908767.445      19.611
+  19   67   48  115 Cd       -88084.480       0.651      8510.7252     0.0057  B-   1451.8768     0.6514  114 905437.426       0.699
+  17   66   49  115 In       -89536.357       0.012      8516.5472     0.0003  B-    497.4892     0.0097  114 903878.772       0.012
+  15   65   50  115 Sn       -90033.846       0.015      8514.0702     0.0003  B-  -3030.4336    16.0253  114 903344.695       0.016
+  13   64   51  115 Sb    x  -87003.412      16.025      8480.9156     0.1394  B-  -4940.6447    32.2137  114 906598.000      17.203
+  11   63   52  115 Te    x  -82062.767      27.945      8431.1504     0.2430  B-  -5724.9628    40.1840  114 911902.000      30.000
+   9   62   53  115 I     x  -76337.805      28.876      8374.5651     0.2511  B-  -7681.0475    31.3126  114 918048.000      31.000
+   7   61   54  115 Xe    x  -68656.757      12.109      8300.9704     0.1053  B-  -8957#       103#      114 926293.943      13.000
+   5   60   55  115 Cs    x  -59699#        102#         8216#         1#      B- -10779#       225#      114 935910#        110#
+   3   59   56  115 Ba    x  -48920#        200#         8116#         2#      B-      *                  114 947482#        215#
+0 34   75   41  116 Nb    x  -25230#        300#         8012#         3#      B-  15980#       583#      115 972914#        322#
+  32   74   42  116 Mo    x  -41210#        500#         8143#         4#      B-  10003#       582#      115 955759#        537#
+  30   73   43  116 Tc    x  -51214#        298#         8223#         3#      B-  12855#       298#      115 945020#        320#
+  28   72   44  116 Ru    x  -64068.917       3.726      8326.8840     0.0321  B-   6666.8252    73.9257  115 931219.191       4.000
+  26   71   45  116 Rh       -70735.742      73.832      8377.6123     0.6365  B-   9095.2839    74.1690  115 924062.060      79.261
+  24   70   46  116 Pd    x  -79831.026       7.135      8449.2755     0.0615  B-   2711.6378     7.8446  115 914297.872       7.659
+  22   69   47  116 Ag    x  -82542.664       3.260      8465.9073     0.0281  B-   6169.8248     3.2642  115 911386.809       3.500
+  20   68   48  116 Cd       -88712.489       0.160      8512.3511     0.0014  B-   -462.7305     0.2720  115 904763.230       0.172
+  18   67   49  116 In   -n  -88249.758       0.220      8501.6177     0.0019  B-   3276.2204     0.2397  115 905259.992       0.236
+  16   66   50  116 Sn       -91525.979       0.096      8523.1166     0.0009  B-  -4703.9591     5.1540  115 901742.825       0.103
+  14   65   51  116 Sb       -86822.020       5.154      8475.8208     0.0444  B-  -1558.2272    24.7485  115 906792.732       5.533
+  12   64   52  116 Te       -85263.793      24.206      8455.6435     0.2087  B-  -7843.1388    75.3230  115 908465.558      25.986
+  10   63   53  116 I        -77420.654      75.037      8381.2858     0.6469  B-  -4373.7764    75.8444  115 916885.513      80.555
+   8   62   54  116 Xe       -73046.877      13.017      8336.8365     0.1122  B- -11004#       101#      115 921580.955      13.974
+   6   61   55  116 Cs   ea  -62043#        100#         8235#         1#      B-  -7663#       224#      115 933395#        108#
+   4   60   56  116 Ba    x  -54380#        200#         8162#         2#      B- -14330#       379#      115 941621#        215#
+   2   59   57  116 La   -a  -40050#        321#         8032#         3#      B-      *                  115 957005#        345#
+0 33   75   42  117 Mo    x  -35689#        500#         8096#         4#      B-  12450#       640#      116 961686#        537#
+  31   74   43  117 Tc    x  -48140#        400#         8195#         3#      B-  11350#       589#      116 948320#        429#
+  29   73   44  117 Ru    x  -59489.871     433.145      8285.5625     3.7021  B-   9406.8875   433.2361  116 936135.000     465.000
+  27   72   45  117 Rh    x  -68896.758       8.895      8359.2766     0.0760  B-   7527.1313    11.4108  116 926036.291       9.548
+  25   71   46  117 Pd       -76423.890       7.255      8416.9243     0.0620  B-   5758.0284    14.7674  116 917955.584       7.788
+  23   70   47  117 Ag       -82181.918      13.572      8459.4515     0.1160  B-   4236.4790    13.6099  116 911774.086      14.570
+  21   69   48  117 Cd   -n  -86418.397       1.013      8488.9740     0.0087  B-   2524.6381     4.9829  116 907226.039       1.087
+  19   68   49  117 In       -88943.035       4.881      8503.8653     0.0417  B-   1454.7073     4.8567  116 904515.729       5.239
+  17   67   50  117 Sn       -90397.742       0.483      8509.6120     0.0041  B-  -1758.1788     8.4449  116 902954.036       0.518
+  15   66   51  117 Sb       -88639.564       8.437      8487.8981     0.0721  B-  -3544.0634    13.0785  116 904841.519       9.057
+  13   65   52  117 Te       -85095.500      13.455      8450.9203     0.1150  B-  -4656.9321    28.1284  116 908646.227      14.444
+  11   64   53  117 I        -80438.568      25.558      8404.4307     0.2184  B-  -6253.2213    27.5845  116 913645.649      27.437
+   9   63   54  117 Xe    x  -74185.347      10.378      8344.2976     0.0887  B-  -7692.2462    63.2672  116 920358.758      11.141
+   7   62   55  117 Cs    x  -66493.101      62.410      8271.8652     0.5334  B-  -9035.1943   258.0009  116 928616.723      67.000
+   5   61   56  117 Ba   ep  -57457.906     250.339      8187.9546     2.1396  B- -11187#       321#      116 938316.403     268.749
+   3   60   57  117 La   -p  -46271#        200#         8086#         2#      B-      *                  116 950326#        215#
+0 34   76   42  118 Mo    x  -32370#        500#         8067#         4#      B-  10920#       640#      117 965249#        537#
+  32   75   43  118 Tc    x  -43290#        400#         8153#         3#      B-  13710#       447#      117 953526#        429#
+  30   74   44  118 Ru    x  -57000#        200#         8263#         2#      B-   7887#       202#      117 938808#        215#
+  28   73   45  118 Rh    x  -64886.840      24.236      8322.8539     0.2054  B-  10501.5182    24.3424  117 930341.116      26.018
+  26   72   46  118 Pd       -75388.358       2.494      8405.2197     0.0211  B-   4165.4444     3.5419  117 919067.273       2.677
+  24   71   47  118 Ag    x  -79553.802       2.515      8433.8900     0.0213  B-   7147.8469    20.1582  117 914595.484       2.700
+  22   70   48  118 Cd  -nn  -86701.649      20.001      8487.8350     0.1695  B-    526.5277    21.4501  117 906921.956      21.471
+  20   69   49  118 In       -87228.177       7.752      8485.6670     0.0657  B-   4424.6664     7.7396  117 906356.705       8.322
+  18   68   50  118 Sn       -91652.843       0.499      8516.5341     0.0042  B-  -3656.6393     2.9745  117 901606.630       0.536
+  16   67   51  118 Sb    -  -87996.204       3.016      8478.9156     0.0256  B-   -305.4459    18.5521  117 905532.194       3.237
+  14   66   52  118 Te  +nn  -87690.758      18.306      8469.6970     0.1551  B-  -6719.7015    26.9364  117 905860.104      19.652
+  12   65   53  118 I     x  -80971.056      19.760      8406.1203     0.1675  B-  -2891.9893    22.3197  117 913074.000      21.213
+  10   64   54  118 Xe    x  -78079.067      10.378      8374.9819     0.0880  B-  -9669.6905    16.4423  117 916178.678      11.141
+   8   63   55  118 Cs   IT  -68409.377      12.753      8286.4053     0.1081  B-  -6210#       201#      117 926559.517      13.690
+   6   62   56  118 Ba    x  -62200#        200#         8227#         2#      B- -12580#       361#      117 933226#        215#
+   4   61   57  118 La    x  -49620#        300#         8114#         3#      B-      *                  117 946731#        322#
+0 35   77   42  119 Mo    x  -26580#        300#         8019#         3#      B-  13590#       583#      118 971465#        322#
+  33   76   43  119 Tc    x  -40170#        500#         8126#         4#      B-  11910#       583#      118 956876#        537#
+  31   75   44  119 Ru    x  -52080#        300#         8220#         3#      B-  10743#       300#      118 944090#        322#
+  29   74   45  119 Rh    x  -62822.802       9.315      8303.3953     0.0783  B-   8584.4751    12.4416  118 932556.951      10.000
+  27   73   46  119 Pd    x  -71407.277       8.248      8368.9594     0.0693  B-   7238.4816    16.8566  118 923341.138       8.854
+  25   72   47  119 Ag       -78645.759      14.703      8423.2126     0.1236  B-   5331.1799    35.9259  118 915570.309      15.783
+  23   71   48  119 Cd       -83976.939      37.695      8461.4381     0.3168  B-   3721.7197    38.0880  118 909847.052      40.467
+  21   70   49  119 In       -87698.658       7.310      8486.1387     0.0614  B-   2366.3263     7.3381  118 905851.622       7.847
+  19   69   50  119 Sn       -90064.985       0.725      8499.4494     0.0061  B-   -589.4452     6.9937  118 903311.266       0.778
+  17   68   51  119 Sb       -89475.539       6.998      8487.9218     0.0588  B-  -2293.0000     2.0000  118 903944.062       7.512
+  15   67   52  119 Te    -  -87182.539       7.278      8462.0785     0.0612  B-  -3404.8080    22.8941  118 906405.699       7.813
+  13   66   53  119 I     x  -83777.731      21.706      8426.8924     0.1824  B-  -4983.2433    24.0598  118 910060.910      23.302
+  11   65   54  119 Xe       -78794.488      10.378      8378.4420     0.0872  B-  -6489.4269    17.3790  118 915410.641      11.141
+   9   64   55  119 Cs   IT  -72305.061      13.940      8317.3347     0.1171  B-  -7714.9651   200.7537  118 922377.327      14.965
+   7   63   56  119 Ba   ep  -64590.096     200.269      8245.9287     1.6829  B-  -9570#       361#      118 930659.683     214.997
+   5   62   57  119 La    x  -55020#        300#         8159#         3#      B- -11199#       583#      118 940934#        322#
+   3   61   58  119 Ce    x  -43820#        500#         8058#         4#      B-      *                  118 952957#        537#
+0 34   77   43  120 Tc    x  -35000#        500#         8083#         4#      B-  14720#       640#      119 962426#        537#
+  32   76   44  120 Ru    x  -49720#        400#         8199#         3#      B-   8899#       447#      119 946623#        429#
+  30   75   45  120 Rh    x  -58620#        200#         8266#         2#      B-  11660#       200#      119 937069#        215#
+  28   74   46  120 Pd       -70279.604       2.296      8357.0817     0.0191  B-   5371.9076     5.0261  119 924551.745       2.464
+  26   73   47  120 Ag    x  -75651.512       4.471      8395.3281     0.0373  B-   8305.8535     5.8202  119 918784.765       4.800
+  24   72   48  120 Cd    x  -83957.365       3.726      8458.0240     0.0311  B-   1770.3754    40.1837  119 909868.065       4.000
+  22   71   49  120 In    +  -85727.741      40.011      8466.2575     0.3334  B-   5370.0000    40.0000  119 907967.489      42.953
+  20   70   50  120 Sn       -91097.741       0.920      8504.4880     0.0077  B-  -2680.6076     7.1399  119 902202.557       0.987
+  18   69   51  120 Sb    -  -88417.133       7.199      8475.6300     0.0600  B-    945.0271     7.3530  119 905080.308       7.728
+  16   68   52  120 Te       -89362.160       1.751      8476.9857     0.0146  B-  -5615.0000    15.0000  119 904065.779       1.880
+  14   67   53  120 I     -  -83747.160      15.102      8423.6745     0.1258  B-  -1574.7260    19.1760  119 910093.729      16.212
+  12   66   54  120 Xe    x  -82172.434      11.817      8404.0322     0.0985  B-  -8283.7857    15.4611  119 911784.267      12.686
+  10   65   55  120 Cs   IT  -73888.649       9.970      8328.4811     0.0831  B-  -5000.0000   300.0000  119 920677.277      10.702
+   8   64   56  120 Ba    -  -68888.649     300.166      8280.2949     2.5014  B- -11319#       424#      119 926044.997     322.241
+   6   63   57  120 La    x  -57570#        300#         8179#         2#      B-  -7840#       583#      119 938196#        322#
+   4   62   58  120 Ce    x  -49730#        500#         8108#         4#      B-      *                  119 946613#        537#
+0 35   78   43  121 Tc    x  -31540#        500#         8054#         4#      B-  13080#       640#      120 966140#        537#
+  33   77   44  121 Ru    x  -44620#        400#         8156#         3#      B-  11630#       737#      120 952098#        429#
+  31   76   45  121 Rh    x  -56250.134     619.444      8245.2397     5.1194  B-   9932.2030   619.4527  120 939613.000     665.000
+  29   75   46  121 Pd    x  -66182.337       3.353      8320.8584     0.0277  B-   8220.4934    12.5652  120 928950.342       3.600
+  27   74   47  121 Ag    x  -74402.831      12.109      8382.3306     0.1001  B-   6671.0057    12.2642  120 920125.279      13.000
+  25   73   48  121 Cd    x  -81073.837       1.942      8430.9972     0.0161  B-   4760.7564    27.4876  120 912963.660       2.085
+  23   72   49  121 In   +p  -85834.593      27.419      8463.8767     0.2266  B-   3362.0331    27.4098  120 907852.778      29.435
+  21   71   50  121 Sn       -89196.626       0.978      8485.1964     0.0081  B-    402.5306     2.5239  120 904243.488       1.050
+  19   70   51  121 Sb       -89599.157       2.506      8482.0574     0.0207  B-  -1056.0462    25.7587  120 903811.353       2.690
+  17   69   52  121 Te       -88543.111      25.835      8466.8641     0.2135  B-  -2297.4615    25.9856  120 904945.065      27.734
+  15   68   53  121 I        -86245.649       4.723      8441.4111     0.0390  B-  -3764.6525    11.2790  120 907411.492       5.070
+  13   67   54  121 Xe       -82480.997      10.243      8403.8326     0.0847  B-  -5378.6549    13.9791  120 911453.012      10.995
+  11   66   55  121 Cs       -77102.342      14.290      8352.9152     0.1181  B-  -6357.4948   141.1765  120 917227.235      15.340
+   9   65   56  121 Ba    -  -70744.847     141.898      8293.9083     1.1727  B-  -8555#       332#      120 924052.286     152.333
+   7   64   57  121 La    x  -62190#        300#         8217#         2#      B-  -9500#       500#      120 933236#        322#
+   5   63   58  121 Ce    x  -52690#        401#         8132#         3#      B- -11139#       641#      120 943435#        430#
+   3   62   59  121 Pr   -p  -41551#        500#         8033#         4#      B-      *                  120 955393#        537#
+0 36   79   43  122 Tc    x  -26305#        300#         8011#         2#      B-  15475#       583#      121 971760#        322#
+  34   78   44  122 Ru    x  -41780#        500#         8132#         4#      B-  10099#       583#      121 955147#        537#
+  32   77   45  122 Rh    x  -51880#        300#         8208#         2#      B-  12737#       301#      121 944305#        322#
+  30   76   46  122 Pd    x  -64616.169      19.561      8305.9755     0.1603  B-   6489.9492    42.9094  121 930631.693      21.000
+  28   75   47  122 Ag    x  -71106.118      38.191      8352.7591     0.3130  B-   9506.2662    38.2604  121 923664.446      41.000
+  26   74   48  122 Cd       -80612.384       2.299      8424.2667     0.0188  B-   2958.9765    50.1126  121 913459.050       2.468
+  24   73   49  122 In    +  -83571.361      50.060      8442.1079     0.4103  B-   6368.5921    50.0000  121 910282.458      53.741
+  22   72   50  122 Sn       -89939.953       2.448      8487.8968     0.0201  B-  -1605.7483     3.2135  121 903445.494       2.627
+  20   71   51  122 Sb       -88334.205       2.503      8468.3222     0.0205  B-   1979.0772     2.1265  121 905169.335       2.687
+  18   70   52  122 Te       -90313.282       1.357      8478.1315     0.0111  B-  -4234.0000     5.0000  121 903044.708       1.456
+  16   69   53  122 I     -  -86079.282       5.181      8437.0139     0.0425  B-   -724.2937    12.2596  121 907590.094       5.561
+  14   68   54  122 Xe    x  -85354.988      11.111      8424.6644     0.0911  B-  -7210.2195    35.4720  121 908367.655      11.928
+  12   67   55  122 Cs       -78144.769      33.687      8359.1515     0.2761  B-  -3535.8170    43.7690  121 916108.144      36.164
+  10   66   56  122 Ba    x  -74608.952      27.945      8323.7567     0.2291  B- -10066#       299#      121 919904.000      30.000
+   8   65   57  122 La    x  -64543#        298#         8235#         2#      B-  -6669#       499#      121 930710#        320#
+   6   64   58  122 Ce    x  -57874#        401#         8174#         3#      B- -13094#       641#      121 937870#        430#
+   4   63   59  122 Pr    x  -44780#        500#         8060#         4#      B-      *                  121 951927#        537#
+0 35   79   44  123 Ru    x  -36550#        500#         8089#         4#      B-  12640#       640#      122 960762#        537#
+  33   78   45  123 Rh    x  -49190#        400#         8185#         3#      B-  11239#       885#      122 947192#        429#
+  31   77   46  123 Pd    x  -60429.748     789.441      8270.0318     6.4182  B-   9138.8323   790.1142  122 935126.000     847.500
+  29   76   47  123 Ag    x  -69568.581      32.602      8337.9707     0.2651  B-   7845.6026    32.7136  122 925315.060      35.000
+  27   75   48  123 Cd       -77414.183       2.696      8395.3955     0.0219  B-   6014.8503    19.8980  122 916892.460       2.894
+  25   74   49  123 In       -83429.034      19.832      8437.9362     0.1612  B-   4385.6489    19.8392  122 910435.252      21.290
+  23   73   50  123 Sn       -87814.683       2.479      8467.2313     0.0202  B-   1408.2079     2.4203  122 905727.065       2.661
+  21   72   51  123 Sb       -89222.890       1.356      8472.3196     0.0110  B-    -51.9128     0.0661  122 904215.292       1.456
+  19   71   52  123 Te       -89170.978       1.355      8465.5370     0.0110  B-  -1228.3898     3.4448  122 904271.022       1.454
+  17   70   53  123 I        -87942.588       3.686      8449.1896     0.0300  B-  -2694.3302     9.6829  122 905589.753       3.956
+  15   69   54  123 Xe       -85248.258       9.534      8420.9239     0.0775  B-  -4204.6012    15.4121  122 908482.235      10.234
+  13   68   55  123 Cs    x  -81043.657      12.109      8380.3796     0.0985  B-  -5388.6934    17.1253  122 912996.060      13.000
+  11   67   56  123 Ba    x  -75654.963      12.109      8330.2086     0.0985  B-  -7004#       196#      122 918781.060      13.000
+   9   66   57  123 La    x  -68651#        196#         8267#         2#      B-  -8365#       357#      122 926300#        210#
+   7   65   58  123 Ce    x  -60286#        298#         8193#         2#      B- -10056#       499#      122 935280#        320#
+   5   64   59  123 Pr    x  -50230#        400#         8104#         3#      B-      *                  122 946076#        429#
+0 36   80   44  124 Ru    x  -33590#        600#         8065#         5#      B-  11120#       721#      123 963940#        644#
+  34   79   45  124 Rh    x  -44710#        400#         8148#         3#      B-  13690#       500#      123 952002#        429#
+  32   78   46  124 Pd    x  -58400#        300#         8252#         2#      B-   7830#       391#      123 937305#        322#
+  30   77   47  124 Ag    x  -66229.951     251.503      8308.8958     2.0283  B-  10469.4858   251.5169  123 928899.227     270.000
+  28   76   48  124 Cd       -76699.436       2.609      8387.0179     0.0210  B-   4168.3420    30.5355  123 917659.772       2.800
+  26   75   49  124 In       -80867.778      30.561      8414.3243     0.2465  B-   7363.6970    30.5668  123 913184.873      32.808
+  24   74   50  124 Sn       -88231.475       1.314      8467.3997     0.0106  B-   -612.4067     0.4101  123 905279.619       1.410
+  22   73   51  124 Sb   -n  -87619.069       1.358      8456.1517     0.0110  B-   2905.0730     0.1317  123 905937.065       1.457
+  20   72   52  124 Te       -90524.142       1.352      8473.2705     0.0109  B-  -3159.5870     1.8593  123 902818.341       1.451
+  18   71   53  124 I     -  -87364.555       2.299      8441.4807     0.0185  B-    302.8501     1.8639  123 906210.297       2.467
+  16   70   54  124 Xe       -87667.405       1.358      8437.6138     0.0110  B-  -5926.3445     9.2512  123 905885.174       1.457
+  14   69   55  124 Cs    x  -81741.060       9.151      8383.5114     0.0738  B-  -2651.2748    15.4894  123 912247.366       9.823
+  12   68   56  124 Ba    x  -79089.786      12.497      8355.8209     0.1008  B-  -8831.1685    58.0305  123 915093.627      13.416
+  10   67   57  124 La    x  -70258.617      56.669      8278.2926     0.4570  B-  -5343#       303#      123 924574.275      60.836
+   8   66   58  124 Ce    x  -64916#        298#         8229#         2#      B- -11765#       499#      123 930310#        320#
+   6   65   59  124 Pr    x  -53151#        401#         8128#         3#      B-  -8321#       641#      123 942940#        430#
+   4   64   60  124 Nd    x  -44830#        500#         8054#         4#      B-      *                  123 951873#        537#
+0 37   81   44  125 Ru    x  -28370#        300#         8023#         2#      B-  13460#       583#      124 969544#        322#
+  35   80   45  125 Rh    x  -41830#        500#         8124#         4#      B-  12130#       640#      124 955094#        537#
+  33   79   46  125 Pd    x  -53960#        400#         8215#         3#      B-  10560#       589#      124 942072#        429#
+  31   78   47  125 Ag    x  -64519.939     433.145      8293.3151     3.4652  B-   8828.1511   433.1544  124 930735.000     465.000
+  29   77   48  125 Cd    x  -73348.090       2.888      8357.6815     0.0231  B-   7064.2177     3.3869  124 921257.590       3.100
+  27   76   49  125 In    x  -80412.308       1.770      8407.9365     0.0142  B-   5481.3495     2.2131  124 913673.841       1.900
+  25   75   50  125 Sn   -n  -85893.657       1.329      8445.5285     0.0106  B-   2361.4366     2.1661  124 907789.370       1.426
+  23   74   51  125 Sb    +  -88255.094       2.515      8458.1612     0.0201  B-    766.7000     2.1213  124 905254.264       2.700
+  21   73   52  125 Te       -89021.794       1.352      8458.0361     0.0108  B-   -185.7700     0.0600  124 904431.178       1.451
+  19   72   53  125 I     -  -88836.024       1.353      8450.2911     0.0108  B-  -1636.6632     0.4259  124 904630.610       1.452
+  17   71   54  125 Xe       -87199.361       1.415      8430.9390     0.0113  B-  -3109.6184     7.7879  124 906387.640       1.518
+  15   70   55  125 Cs       -84089.742       7.736      8399.8033     0.0619  B-  -4420.7663    13.4415  124 909725.953       8.304
+  13   69   56  125 Ba       -79668.976      10.992      8358.1784     0.0879  B-  -5909.4836    27.6308  124 914471.840      11.800
+  11   68   57  125 La       -73759.492      25.997      8304.6438     0.2080  B-  -7102#       197#      124 920815.931      27.909
+   9   67   58  125 Ce    x  -66658#        196#         8242#         2#      B-  -8587#       358#      124 928440#        210#
+   7   66   59  125 Pr    x  -58070#        300#         8167#         2#      B- -10001#       500#      124 937659#        322#
+   5   65   60  125 Nd    x  -48070#        400#         8080#         3#      B-      *                  124 948395#        429#
+0 36   81   45  126 Rh    x  -37200#        500#         8087#         4#      B-  14590#       640#      125 960064#        537#
+  34   80   46  126 Pd    x  -51790#        400#         8197#         3#      B-   8930#       447#      125 944401#        429#
+  32   79   47  126 Ag    x  -60720#        200#         8261#         2#      B-  11535#       200#      125 934814#        215#
+  30   78   48  126 Cd       -72255.727       2.304      8346.7393     0.0183  B-   5553.6500     4.7831  125 922430.290       2.473
+  28   77   49  126 In    x  -77809.377       4.192      8384.6067     0.0333  B-   8205.7585    11.4802  125 916468.202       4.500
+  26   76   50  126 Sn  -nn  -86015.135      10.688      8443.5227     0.0848  B-    378.0000    30.0000  125 907658.958      11.473
+  24   75   51  126 Sb    -  -86393.135      31.847      8440.3136     0.2528  B-   3671.0321    31.8223  125 907253.158      34.189
+  22   74   52  126 Te       -90064.168       1.354      8463.2397     0.0107  B-  -2153.6712     3.6717  125 903312.144       1.453
+  20   73   53  126 I        -87910.496       3.778      8439.9379     0.0300  B-   1235.8904     3.7779  125 905624.205       4.055
+  18   72   54  126 Xe       -89146.38687     0.00562    8443.5375     0.0003  B-  -4795.7039    10.3587  125 904297.422       0.006
+  16   71   55  126 Cs       -84350.683      10.359      8399.2673     0.0822  B-  -1680.7697    16.2322  125 909445.821      11.120
+  14   70   56  126 Ba    x  -82669.913      12.497      8379.7187     0.0992  B-  -7696.4376    91.3663  125 911250.202      13.416
+  12   69   57  126 La    x  -74973.476      90.508      8312.4268     0.7183  B-  -4152.9106    94.7235  125 919512.667      97.163
+  10   68   58  126 Ce    x  -70820.565      27.945      8273.2581     0.2218  B- -10497#       198#      125 923971.000      30.000
+   8   67   59  126 Pr    x  -60324#        196#         8184#         2#      B-  -6943#       358#      125 935240#        210#
+   6   66   60  126 Nd    x  -53380#        300#         8122#         2#      B- -13631#       583#      125 942694#        322#
+   4   65   61  126 Pm    x  -39750#        500#         8008#         4#      B-      *                  125 957327#        537#
+0 37   82   45  127 Rh    x  -33730#        600#         8060#         5#      B-  13490#       781#      126 963789#        644#
+  35   81   46  127 Pd    x  -47220#        500#         8160#         4#      B-  11429#       539#      126 949307#        537#
+  33   80   47  127 Ag    x  -58650#        200#         8244#         2#      B-  10092#       200#      126 937037#        215#
+  31   79   48  127 Cd    x  -68741.199       6.200      8316.8971     0.0488  B-   8138.6978    11.7675  126 926203.291       6.656
+  29   78   49  127 In       -76879.897      10.001      8374.8212     0.0788  B-   6589.6810    12.0260  126 917466.040      10.736
+  27   77   50  127 Sn       -83469.578       9.226      8420.5482     0.0726  B-   3228.7160    10.1668  126 910391.726       9.904
+  25   76   51  127 Sb       -86698.294       5.083      8439.8110     0.0400  B-   1582.2030     4.9102  126 906925.557       5.457
+  23   75   52  127 Te       -88280.497       1.365      8446.1090     0.0108  B-    702.7199     3.5652  126 905226.993       1.465
+  21   74   53  127 I        -88983.217       3.621      8445.4820     0.0285  B-   -662.3336     2.0442  126 904472.592       3.887
+  19   73   54  127 Xe       -88320.883       4.088      8434.1066     0.0322  B-  -2080.8562     6.4115  126 905183.636       4.388
+  17   72   55  127 Cs       -86240.027       5.578      8411.5617     0.0439  B-  -3422.0719    12.6525  126 907417.527       5.987
+  15   71   56  127 Ba       -82817.955      11.357      8378.4560     0.0894  B-  -4921.8386    27.7403  126 911091.272      12.192
+  13   70   57  127 La       -77896.116      26.000      8333.5412     0.2047  B-  -5916.7727    38.8567  126 916375.083      27.912
+  11   69   58  127 Ce    x  -71979.344      28.876      8280.7922     0.2274  B-  -7436#       198#      126 922727.000      31.000
+   9   68   59  127 Pr    x  -64543#        196#         8216#         2#      B-  -8633#       358#      126 930710#        210#
+   7   67   60  127 Nd    x  -55910#        300#         8142#         2#      B- -10600#       500#      126 939978#        322#
+   5   66   61  127 Pm    x  -45310#        400#         8052#         3#      B-      *                  126 951358#        429#
+0 38   83   45  128 Rh    x  -27340#        300#         8010#         2#      B-  17050#       583#      127 970649#        322#
+  36   82   46  128 Pd    x  -44390#        500#         8137#         4#      B-  10320#       583#      127 952345#        537#
+  34   81   47  128 Ag    x  -54710#        300#         8211#         2#      B-  12528#       300#      127 941266#        322#
+  32   80   48  128 Cd       -67238.245       6.432      8303.2367     0.0503  B-   6951.8716     6.5665  127 927816.778       6.905
+  30   79   49  128 In    x  -74190.117       1.322      8351.4361     0.0103  B-   9171.3131    17.7194  127 920353.637       1.419
+  28   78   50  128 Sn       -83361.430      17.682      8416.9749     0.1381  B-   1268.4219    13.3175  127 910507.828      18.982
+  26   77   51  128 Sb   IT  -84629.852      18.788      8420.7724     0.1468  B-   4363.9419    18.7862  127 909146.121      20.169
+  24   76   52  128 Te       -88993.794       0.706      8448.7536     0.0055  B-  -1255.7634     3.6807  127 904461.237       0.758
+  22   75   53  128 I        -87738.030       3.621      8432.8309     0.0283  B-   2122.5041     3.6211  127 905809.355       3.887
+  20   74   54  128 Xe       -89860.53427     0.00520    8443.3008     0.0003  B-  -3928.7617     5.3762  127 903530.75341     0.00558
+  18   73   55  128 Cs       -85931.773       5.376      8406.4953     0.0420  B-   -562.6171     5.6122  127 907748.452       5.771
+  16   72   56  128 Ba       -85369.156       1.610      8395.9878     0.0126  B-  -6743.7167    54.4716  127 908352.446       1.728
+  14   71   57  128 La    x  -78625.439      54.448      8337.1904     0.4254  B-  -3091.5136    61.2003  127 915592.123      58.452
+  12   70   58  128 Ce    x  -75533.925      27.945      8306.9259     0.2183  B-  -9203.1617    40.8585  127 918911.000      30.000
+  10   69   59  128 Pr    x  -66330.764      29.808      8228.9141     0.2329  B-  -5800#       202#      127 928791.000      32.000
+   8   68   60  128 Nd    x  -60530#        200#         8177#         2#      B- -12311#       361#      127 935018#        215#
+   6   67   61  128 Pm    x  -48220#        300#         8075#         2#      B-  -9070#       583#      127 948234#        322#
+   4   66   62  128 Sm    x  -39150#        500#         7998#         4#      B-      *                  127 957971#        537#
+0 37   83   46  129 Pd    x  -37880#        600#         8086#         5#      B-  13990#       721#      128 959334#        644#
+  35   82   47  129 Ag    x  -51870#        400#         8188#         3#      B-  11252#       400#      128 944315#        429#
+  33   81   48  129 Cd    x  -63122.142       5.310      8269.5311     0.0412  B-   9712.7471     5.6637  128 932235.597       5.700
+  31   80   49  129 In       -72834.889       1.971      8338.7590     0.0153  B-   7755.7081    17.2376  128 921808.534       2.116
+  29   79   50  129 Sn       -80590.597      17.270      8392.8161     0.1339  B-   4038.7874    27.3634  128 913482.440      18.540
+  27   78   51  129 Sb    +  -84629.384      21.225      8418.0598     0.1645  B-   2375.5000    21.2132  128 909146.623      22.786
+  25   77   52  129 Te       -87004.884       0.711      8430.4098     0.0055  B-   1502.2919     3.1358  128 906596.419       0.763
+  23   76   53  129 I        -88507.176       3.153      8435.9908     0.0244  B-    188.8936     3.1534  128 904983.643       3.385
+  21   75   54  129 Xe       -88696.06975     0.00505    8431.3904     0.0003  B-  -1197.0197     4.5532  128 904780.85742     0.00542
+  19   74   55  129 Cs       -87499.050       4.553      8416.0465     0.0353  B-  -2438.1843    10.5627  128 906065.910       4.888
+  17   73   56  129 Ba       -85060.866      10.504      8391.0811     0.0814  B-  -3737.3247    21.6280  128 908683.409      11.276
+  15   72   57  129 La       -81323.541      21.343      8356.0449     0.1655  B-  -5036.0370    35.1633  128 912695.592      22.913
+  13   71   58  129 Ce    x  -76287.504      27.945      8310.9411     0.2166  B-  -6513.9383    40.8585  128 918102.000      30.000
+  11   70   59  129 Pr    x  -69773.566      29.808      8254.3808     0.2311  B-  -7399#       204#      128 925095.000      32.000
+   9   69   60  129 Nd   ep  -62375#        202#         8191#         2#      B-  -9195#       362#      128 933038#        217#
+   7   68   61  129 Pm    x  -53180#        300#         8114#         2#      B- -10850#       583#      128 942909#        322#
+   5   67   62  129 Sm    x  -42330#        500#         8023#         4#      B-      *                  128 954557#        537#
+0 38   84   46  130 Pd    x  -32730#        300#         8046#         2#      B-  13168#       520#      129 964863#        322#
+  36   83   47  130 Ag  -nn  -45898#        424#         8142#         3#      B-  15220#       425#      129 950727#        455#
+  34   82   48  130 Cd    x  -61117.597      22.356      8252.5868     0.1720  B-   8788.9322    22.4274  129 934387.563      24.000
+  32   81   49  130 In       -69906.530       1.790      8314.1760     0.0138  B-  10225.6870     2.5905  129 924952.257       1.921
+  30   80   50  130 Sn       -80132.217       1.873      8386.8170     0.0144  B-   2153.4702    14.1129  129 913974.531       2.010
+  28   79   51  130 Sb       -82285.687      14.212      8397.3641     0.1093  B-   5067.2728    14.2124  129 911662.686      15.257
+  26   78   52  130 Te       -87352.960       0.011      8430.3251     0.0003  B-   -416.7716     3.1537  129 906222.745       0.011
+  24   77   53  130 I    -n  -86936.188       3.154      8421.1011     0.0243  B-   2944.2864     3.1537  129 906670.168       3.385
+  22   76   54  130 Xe       -89880.474       0.009      8437.7314     0.0003  B-  -2980.7199     8.3567  129 903509.346       0.010
+  20   75   55  130 Cs       -86899.754       8.357      8408.7848     0.0643  B-    357.0219     8.3617  129 906709.281       8.971
+  18   74   56  130 Ba       -87256.776       0.287      8405.5130     0.0022  B-  -5629.4021    25.9477  129 906326.002       0.308
+  16   73   57  130 La    x  -81627.374      25.946      8356.1919     0.1996  B-  -2204.4611    38.1328  129 912369.413      27.854
+  14   72   58  130 Ce    x  -79422.913      27.945      8333.2164     0.2150  B-  -8247.4488    70.0853  129 914736.000      30.000
+  12   71   59  130 Pr    x  -71175.464      64.273      8263.7565     0.4944  B-  -4579.2250    70.0853  129 923590.000      69.000
+  10   70   60  130 Nd    x  -66596.239      27.945      8222.5136     0.2150  B- -11127#       202#      129 928506.000      30.000
+   8   69   61  130 Pm    x  -55470#        200#         8131#         2#      B-  -7770#       447#      129 940451#        215#
+   6   68   62  130 Sm    x  -47700#        400#         8065#         3#      B- -14187#       671#      129 948792#        429#
+   4   67   63  130 Eu   -p  -33513#        539#         7950#         4#      B-      *                  129 964022#        578#
+0 39   85   46  131 Pd    x  -25740#        300#         7993#         2#      B-  15010#       583#      130 972367#        322#
+  37   84   47  131 Ag    x  -40750#        500#         8102#         4#      B-  14462#       501#      130 956253#        537#
+  35   83   48  131 Cd       -55211.760      19.238      8206.1204     0.1469  B-  12812.6089    19.3644  130 940727.740      20.653
+  33   82   49  131 In       -68024.369       2.205      8297.9544     0.0168  B-   9240.2095     4.2397  130 926972.839       2.367
+  31   81   50  131 Sn       -77264.579       3.621      8362.5183     0.0276  B-   4716.8328     3.9621  130 917053.067       3.887
+  29   80   51  131 Sb       -81981.412       2.084      8392.5525     0.0159  B-   3229.6099     2.0845  130 911989.339       2.236
+  27   79   52  131 Te   -n  -85211.022       0.061      8411.2339     0.0005  B-   2231.7057     0.6077  130 908522.210       0.065
+  25   78   53  131 I     +  -87442.727       0.605      8422.2977     0.0046  B-    970.8477     0.6046  130 906126.375       0.649
+  23   77   54  131 Xe       -88413.57492     0.00512    8423.7367     0.0003  B-   -358.0009     0.1771  130 905084.12808     0.00549
+  21   76   55  131 Cs  +nn  -88055.574       0.177      8415.0317     0.0014  B-  -1376.6158     0.4515  130 905468.457       0.190
+  19   75   56  131 Ba   -n  -86678.958       0.415      8398.5511     0.0032  B-  -2909.6936    27.9479  130 906946.315       0.445
+  17   74   57  131 La    x  -83769.265      27.945      8370.3676     0.2133  B-  -4060.8167    43.0918  130 910070.000      30.000
+  15   73   58  131 Ce       -79708.448      32.802      8333.3969     0.2504  B-  -5407.7842    55.4462  130 914429.465      35.214
+  13   72   59  131 Pr       -74300.664      46.995      8286.1439     0.3587  B-  -6532.6235    53.0809  130 920234.960      50.451
+  11   71   60  131 Nd       -67768.040      27.517      8230.3045     0.2101  B-  -7998#       202#      130 927248.020      29.541
+   9   70   61  131 Pm    x  -59770#        200#         8163#         2#      B-  -9490#       447#      130 935834#        215#
+   7   69   62  131 Sm    x  -50280#        400#         8085#         3#      B- -10816#       565#      130 946022#        429#
+   5   68   63  131 Eu   -p  -39464#        400#         7996#         3#      B-      *                  130 957634#        429#
+0 38   85   47  132 Ag    x  -34400#        500#         8053#         4#      B-  16065#       504#      131 963070#        537#
+  36   84   48  132 Cd    x  -50465.429      60.068      8169.1421     0.4551  B-  11946.1243    84.9236  131 945823.136      64.485
+  34   83   49  132 In    +  -62411.554      60.033      8253.7162     0.4548  B-  14135.0000    60.0000  131 932998.444      64.447
+  32   82   50  132 Sn       -76546.554       1.976      8354.8726     0.0150  B-   3088.7280     3.1606  131 917823.898       2.121
+  30   81   51  132 Sb       -79635.282       2.467      8372.3452     0.0187  B-   5552.9155     4.2708  131 914508.013       2.648
+  28   80   52  132 Te       -85188.197       3.486      8408.4859     0.0264  B-    515.3046     3.4830  131 908546.713       3.742
+  26   79   53  132 I        -85703.502       4.065      8406.4628     0.0308  B-   3575.4729     4.0654  131 907993.511       4.364
+  24   78   54  132 Xe       -89278.97451     0.00507    8427.6229     0.0003  B-  -2126.2813     1.0359  131 904155.08346     0.00544
+  22   77   55  132 Cs       -87152.693       1.036      8405.5878     0.0079  B-   1282.2099     1.4773  131 906437.740       1.112
+  20   76   56  132 Ba       -88434.903       1.053      8409.3747     0.0080  B-  -4711.3256    36.3537  131 905061.231       1.130
+  18   75   57  132 La       -83723.578      36.359      8367.7559     0.2754  B-  -1254.8898    41.7025  131 910119.047      39.032
+  16   74   58  132 Ce       -82468.688      20.407      8352.3223     0.1546  B-  -7241.2240    35.3594  131 911466.226      21.907
+  14   73   59  132 Pr    x  -75227.464      28.876      8291.5377     0.2188  B-  -3801.6487    37.6795  131 919240.000      31.000
+  12   72   60  132 Nd    x  -71425.815      24.205      8256.8104     0.1834  B-  -9798#       151#      131 923321.237      25.985
+  10   71   61  132 Pm    x  -61628#        149#         8177#         1#      B-  -6488#       335#      131 933840#        160#
+   8   70   62  132 Sm    x  -55140#        300#         8122#         2#      B- -12939#       500#      131 940805#        322#
+   6   69   63  132 Eu    x  -42200#        400#         8018#         3#      B-      *                  131 954696#        429#
+0 39   86   47  133 Ag    x  -29080#        500#         8013#         4#      B-  15059#       539#      132 968781#        537#
+  37   85   48  133 Cd    x  -44140#        200#         8121#         2#      B-  13550#       283#      132 952614#        215#
+  35   84   49  133 In    x  -57690#        200#         8217#         2#      B-  13184#       200#      132 938067#        215#
+  33   83   50  133 Sn       -70873.890       1.904      8310.0890     0.0143  B-   8049.6228     3.6617  132 923913.753       2.043
+  31   82   51  133 Sb       -78923.513       3.128      8364.7302     0.0235  B-   4013.6198     3.5179  132 915272.128       3.357
+  29   81   52  133 Te       -82937.133       2.066      8389.0255     0.0155  B-   2920.1690     6.2531  132 910963.330       2.218
+  27   80   53  133 I        -85857.302       5.902      8405.0993     0.0444  B-   1786.2812     6.3712  132 907828.400       6.335
+  25   79   54  133 Xe    +  -87643.583       2.400      8412.6477     0.0180  B-    427.3600     2.4000  132 905910.748       2.576
+  23   78   55  133 Cs       -88070.943       0.008      8409.9786     0.0003  B-   -517.4310     0.9920  132 905451.958       0.008
+  21   77   56  133 Ba       -87553.512       0.992      8400.2059     0.0075  B-  -2059.1203    27.9624  132 906007.443       1.065
+  19   76   57  133 La    x  -85494.392      27.945      8378.8415     0.2101  B-  -3076.1685    32.3786  132 908218.000      30.000
+  17   75   58  133 Ce    x  -82418.223      16.354      8349.8301     0.1230  B-  -4480.6319    20.5826  132 911520.402      17.557
+  15   74   59  133 Pr    x  -77937.591      12.497      8310.2588     0.0940  B-  -5605.2112    48.2223  132 916330.558      13.416
+  13   73   60  133 Nd    x  -72332.380      46.575      8262.2320     0.3502  B-  -6924.7272    68.5519  132 922348.000      50.000
+  11   72   61  133 Pm    x  -65407.653      50.301      8204.2841     0.3782  B-  -8177#       302#      132 929782.000      54.000
+   9   71   62  133 Sm    x  -57231#        298#         8137#         2#      B-  -9995#       422#      132 938560#        320#
+   7   70   63  133 Eu    x  -47236#        298#         8056#         2#      B- -11176#       582#      132 949290#        320#
+   5   69   64  133 Gd    x  -36060#        500#         7966#         4#      B-      *                  132 961288#        537#
+0 38   86   48  134 Cd    x  -39460#        300#         8086#         2#      B-  12510#       361#      133 957638#        322#
+  36   85   49  134 In    x  -51970#        200#         8173#         1#      B-  14464#       200#      133 944208#        215#
+  34   84   50  134 Sn    x  -66433.759       3.167      8275.1719     0.0236  B-   7585.2453     4.4136  133 928680.430       3.400
+  32   83   51  134 Sb    x  -74019.004       3.074      8325.9398     0.0229  B-   8514.7483     4.1221  133 920537.334       3.300
+  30   82   52  134 Te       -82533.752       2.746      8383.6442     0.0205  B-   1509.6875     4.9335  133 911396.376       2.948
+  28   81   53  134 I        -84043.440       4.857      8389.0722     0.0362  B-   4082.3946     4.8567  133 909775.660       5.213
+  26   80   54  134 Xe       -88125.83443     0.00577    8413.6994     0.0003  B-  -1234.6691     0.0160  133 905393.030       0.006
+  24   79   55  134 Cs       -86891.165       0.016      8398.6470     0.0003  B-   2058.8368     0.2508  133 906718.501       0.017
+  22   78   56  134 Ba       -88950.002       0.251      8408.1731     0.0019  B-  -3731.3434    19.9312  133 904508.249       0.269
+  20   77   57  134 La    x  -85218.659      19.930      8374.4888     0.1487  B-   -385.7605    28.5098  133 908514.011      21.395
+  18   76   58  134 Ce    x  -84832.898      20.387      8365.7716     0.1521  B-  -6304.8987    28.7814  133 908928.142      21.886
+  16   75   59  134 Pr    x  -78528.000      20.316      8312.8817     0.1516  B-  -2881.5569    23.5032  133 915696.729      21.810
+  14   74   60  134 Nd    x  -75646.443      11.817      8285.5391     0.0882  B-  -8882.5343    43.5512  133 918790.207      12.686
+  12   73   61  134 Pm    x  -66763.908      41.917      8213.4131     0.3128  B-  -5388#       200#      133 928326.000      45.000
+  10   72   62  134 Sm    x  -61376#        196#         8167#         1#      B- -11576#       358#      133 934110#        210#
+   8   71   63  134 Eu    x  -49800#        300#         8075#         2#      B-  -8271#       500#      133 946537#        322#
+   6   70   64  134 Gd    x  -41530#        400#         8008#         3#      B-      *                  133 955416#        429#
+0 39   87   48  135 Cd    x  -32820#        400#         8036#         3#      B-  14290#       500#      134 964766#        429#
+  37   86   49  135 In    x  -47110#        300#         8136#         2#      B-  13522#       300#      134 949425#        322#
+  35   85   50  135 Sn    x  -60632.252       3.074      8230.6877     0.0228  B-   9058.0800     4.0522  134 934908.603       3.300
+  33   84   51  135 Sb       -69690.332       2.640      8291.9894     0.0196  B-   8038.4581     3.1524  134 925184.354       2.834
+  31   83   52  135 Te       -77728.790       1.722      8345.7384     0.0128  B-   6050.3894     2.6850  134 916554.715       1.848
+  29   82   53  135 I        -83779.180       2.060      8384.7609     0.0153  B-   2634.1851     3.8284  134 910059.355       2.211
+  27   81   54  135 Xe       -86413.365       3.668      8398.4783     0.0272  B-   1168.5917     3.6623  134 907231.441       3.938
+  25   80   55  135 Cs       -87581.956       0.364      8401.3393     0.0027  B-    268.6983     0.2862  134 905976.907       0.390
+  23   79   56  135 Ba       -87850.655       0.245      8397.5345     0.0018  B-  -1207.1973     9.4299  134 905688.447       0.263
+  21   78   57  135 La       -86643.458       9.432      8382.7972     0.0699  B-  -2027.1499     4.6101  134 906984.427      10.126
+  19   77   58  135 Ce       -84616.308      10.266      8361.9861     0.0760  B-  -3680.4357    15.6540  134 909160.662      11.021
+  17   76   59  135 Pr    x  -80935.872      11.817      8328.9284     0.0875  B-  -4722.2522    22.4837  134 913111.772      12.686
+  15   75   60  135 Nd    x  -76213.620      19.128      8288.1536     0.1417  B-  -6151.2907    85.0809  134 918181.318      20.534
+  13   74   61  135 Pm    x  -70062.329      82.903      8236.7933     0.6141  B-  -7205.1069   175.4501  134 924785.000      89.000
+  11   73   62  135 Sm    x  -62857.222     154.628      8177.6270     1.1454  B-  -8709#       249#      134 932520.000     166.000
+   9   72   63  135 Eu    x  -54148#        196#         8107#         1#      B-  -9898#       445#      134 941870#        210#
+   7   71   64  135 Gd    x  -44250#        400#         8028#         3#      B- -11197#       565#      134 952496#        429#
+   5   70   65  135 Tb   -p  -33053#        400#         7939#         3#      B-      *                  134 964516#        429#
+0 38   87   49  136 In    x  -40970#        300#         8091#         2#      B-  15200#       361#      135 956017#        322#
+  36   86   50  136 Sn    x  -56170#        200#         8197#         1#      B-   8337#       200#      135 939699#        215#
+  34   85   51  136 Sb       -64506.890       5.830      8252.2533     0.0429  B-   9918.3897     6.2599  135 930749.009       6.258
+  32   84   52  136 Te       -74425.279       2.281      8319.4301     0.0168  B-   5119.9455    14.1880  135 920101.180       2.448
+  30   83   53  136 I        -79545.225      14.188      8351.3242     0.1043  B-   6883.9455    14.1880  135 914604.693      15.231
+  28   82   54  136 Xe       -86429.170       0.007      8396.1889     0.0003  B-    -90.3151     1.8730  135 907214.474       0.007
+  26   81   55  136 Cs    +  -86338.855       1.873      8389.7723     0.0138  B-   2548.2241     1.8570  135 907311.431       2.010
+  24   80   56  136 Ba       -88887.079       0.245      8402.7566     0.0018  B-  -2849.5915    53.1715  135 904575.800       0.262
+  22   79   57  136 La    x  -86037.488      53.171      8376.0512     0.3910  B-    471.0621    53.1720  135 907634.962      57.081
+  20   78   58  136 Ce       -86508.550       0.324      8373.7624     0.0024  B-  -5168.1290    11.4561  135 907129.256       0.348
+  18   77   59  136 Pr       -81340.421      11.455      8330.0089     0.0842  B-  -2141.1234    16.4578  135 912677.470      12.296
+  16   76   60  136 Nd    x  -79199.297      11.817      8308.5127     0.0869  B-  -8029.3747    70.0764  135 914976.061      12.686
+  14   75   61  136 Pm    x  -71169.923      69.073      8243.7207     0.5079  B-  -4359.0237    70.1942  135 923595.949      74.152
+  12   74   62  136 Sm    x  -66810.899      12.497      8205.9165     0.0919  B- -10567#       196#      135 928275.553      13.416
+  10   73   63  136 Eu    x  -56244#        196#         8122#         1#      B-  -7154#       357#      135 939620#        210#
+   8   72   64  136 Gd    x  -49090#        298#         8064#         2#      B- -13190#       582#      135 947300#        320#
+   6   71   65  136 Tb    x  -35900#        500#         7961#         4#      B-      *                  135 961460#        537#
+0 39   88   49  137 In    x  -35830#        400#         8053#         3#      B-  14320#       500#      136 961535#        429#
+  37   87   50  137 Sn    x  -50150#        300#         8152#         2#      B-   9911#       304#      136 946162#        322#
+  35   86   51  137 Sb    x  -60060.392      52.164      8218.4764     0.3808  B-   9243.3698    52.2059  136 935522.519      56.000
+  33   85   52  137 Te       -69303.762       2.100      8280.2357     0.0153  B-   7052.5063     8.6426  136 925599.354       2.254
+  31   84   53  137 I  p-2n  -76356.268       8.383      8326.0033     0.0612  B-   6027.1455     8.3841  136 918028.178       9.000
+  29   83   54  137 Xe   -n  -82383.414       0.104      8364.2865     0.0008  B-   4162.3582     0.3193  136 911557.771       0.111
+  27   82   55  137 Cs    +  -86545.772       0.302      8388.9581     0.0022  B-   1175.6285     0.1723  136 907089.296       0.324
+  25   81   56  137 Ba       -87721.401       0.248      8391.8288     0.0018  B-   -580.5356     1.6231  136 905827.207       0.266
+  23   80   57  137 La    +  -87140.865       1.640      8381.8807     0.0120  B-  -1222.1000     1.6000  136 906450.438       1.760
+  21   79   58  137 Ce       -85918.765       0.360      8367.2497     0.0026  B-  -2716.9515     8.1328  136 907762.416       0.386
+  19   78   59  137 Pr       -83201.814       8.135      8341.7074     0.0594  B-  -3617.8447    14.2706  136 910679.183       8.733
+  17   77   60  137 Nd       -79583.969      11.725      8309.5892     0.0856  B-  -5511.1108    17.5366  136 914563.099      12.586
+  15   76   61  137 Pm    x  -74072.858      13.041      8263.6516     0.0952  B-  -6081.2029    31.4460  136 920479.519      14.000
+  13   75   62  137 Sm       -67991.655      28.614      8213.5527     0.2089  B-  -7845.7518    28.9474  136 927007.959      30.718
+  11   74   63  137 Eu    x  -60145.904       4.378      8150.5738     0.0320  B-  -8932#       298#      136 935430.719       4.700
+   9   73   64  137 Gd    x  -51214#        298#         8080#         2#      B- -10246#       499#      136 945020#        320#
+   7   72   65  137 Tb    x  -40967#        401#         7999#         3#      B-      *                  136 956020#        430#
+0 38   88   50  138 Sn    x  -45510#        400#         8118#         3#      B-   9140#       500#      137 951143#        429#
+  36   87   51  138 Sb    x  -54650#        300#         8178#         2#      B-  11046#       300#      137 941331#        322#
+  34   86   52  138 Te       -65695.995       3.787      8252.5786     0.0274  B-   6283.9149     7.0625  137 929472.452       4.065
+  32   85   53  138 I     x  -71979.910       5.962      8292.4450     0.0432  B-   7992.3346     6.5881  137 922726.392       6.400
+  30   84   54  138 Xe       -79972.244       2.804      8344.6913     0.0203  B-   2914.7839     9.5780  137 914146.268       3.010
+  28   83   55  138 Cs       -82887.028       9.158      8360.1437     0.0664  B-   5374.7776     9.1584  137 911017.119       9.831
+  26   82   56  138 Ba       -88261.806       0.249      8393.4222     0.0018  B-  -1748.3977     0.3384  137 905247.059       0.267
+  24   81   57  138 La       -86513.408       0.416      8375.0835     0.0030  B-   1052.4585     0.4018  137 907124.041       0.446
+  22   80   58  138 Ce       -87565.867       0.499      8377.0408     0.0036  B-  -4437.0000    10.0000  137 905994.180       0.536
+  20   79   59  138 Pr    -  -83128.867      10.012      8339.2195     0.0726  B-  -1111.6847    15.3256  137 910757.495      10.748
+  18   78   60  138 Nd       -82017.182      11.603      8325.4946     0.0841  B-  -7102.8119    16.0995  137 911950.938      12.456
+  16   77   61  138 Pm       -74914.370      11.603      8268.3558     0.0841  B-  -3416.5976    16.5613  137 919576.119      12.456
+  14   76   62  138 Sm    x  -71497.772      11.817      8237.9286     0.0856  B-  -9748.0968    30.3408  137 923243.988      12.686
+  12   75   63  138 Eu    x  -61749.676      27.945      8161.6211     0.2025  B-  -6090#       202#      137 933709.000      30.000
+  10   74   64  138 Gd    x  -55660#        200#         8112#         1#      B- -12059#       361#      137 940247#        215#
+   8   73   65  138 Tb    x  -43600#        300#         8019#         2#      B-  -8669#       586#      137 953193#        322#
+   6   72   66  138 Dy    x  -34931#        503#         7950#         4#      B-      *                  137 962500#        540#
+0 39   89   50  139 Sn    x  -39310#        400#         8073#         3#      B-  10740#       565#      138 957799#        429#
+  37   88   51  139 Sb    x  -50050#        400#         8144#         3#      B-  10155#       400#      138 946269#        429#
+  35   87   52  139 Te    x  -60205.080       3.540      8211.7716     0.0255  B-   8265.8835     5.3454  138 935367.191       3.800
+  33   86   53  139 I     x  -68470.964       4.005      8265.6100     0.0288  B-   7173.6224     4.5424  138 926493.400       4.300
+  31   85   54  139 Xe    x  -75644.586       2.142      8311.5904     0.0154  B-   5056.5023     3.7960  138 918792.200       2.300
+  29   84   55  139 Cs    +  -80701.088       3.134      8342.3397     0.0225  B-   4212.8293     3.1235  138 913363.822       3.364
+  27   83   56  139 Ba   -n  -84913.918       0.253      8367.0194     0.0018  B-   2308.4632     0.6571  138 908841.164       0.271
+  25   82   57  139 La       -87222.381       0.607      8377.9987     0.0044  B-   -264.6396     1.9989  138 906362.927       0.651
+  23   81   58  139 Ce       -86957.741       2.089      8370.4664     0.0150  B-  -2129.0890     2.9962  138 906647.029       2.242
+  21   80   59  139 Pr       -84828.652       3.649      8349.5208     0.0263  B-  -2811.7226    27.6166  138 908932.700       3.917
+  19   79   60  139 Nd       -82016.930      27.521      8323.6642     0.1980  B-  -4515.9014    25.8700  138 911951.208      29.545
+  17   78   61  139 Pm       -77501.028      13.588      8285.5473     0.0978  B-  -5120.7993    17.4098  138 916799.228      14.587
+  15   77   62  139 Sm    x  -72380.229      10.884      8243.0786     0.0783  B-  -6982.1777    17.0705  138 922296.631      11.684
+  13   76   63  139 Eu    x  -65398.051      13.151      8187.2187     0.0946  B-  -7767#       196#      138 929792.307      14.117
+  11   75   64  139 Gd    x  -57632#        196#         8126#         1#      B-  -9501#       357#      138 938130#        210#
+   9   74   65  139 Tb    x  -48130#        298#         8052#         2#      B- -10430#       582#      138 948330#        320#
+   7   73   66  139 Dy    x  -37700#        500#         7971#         4#      B-      *                  138 959527#        537#
+0 40   90   50  140 Sn    x  -34490#        300#         8038#         2#      B-   9900#       671#      139 962973#        322#
+  38   89   51  140 Sb    x  -44390#        600#         8103#         4#      B-  11977#       600#      139 952345#        644#
+  36   88   52  140 Te       -56367.449      14.377      8183.3567     0.1027  B-   7238.7734    18.7976  139 939487.057      15.434
+  34   87   53  140 I     x  -63606.223      12.109      8229.4740     0.0865  B-   9380.2388    12.3313  139 931715.914      13.000
+  32   86   54  140 Xe    x  -72986.461       2.329      8290.8875     0.0166  B-   4063.2768     8.5232  139 921645.814       2.500
+  30   85   55  140 Cs       -77049.738       8.199      8314.3227     0.0586  B-   6218.1669     9.8671  139 917283.707       8.801
+  28   84   56  140 Ba       -83267.905       7.900      8353.1500     0.0564  B-   1044.1542     7.9051  139 910608.231       8.480
+  26   83   57  140 La       -84312.059       0.607      8355.0201     0.0043  B-   3762.1676     1.3364  139 909487.285       0.651
+  24   82   58  140 Ce       -88074.227       1.313      8376.3045     0.0094  B-  -3388.0000     6.0000  139 905448.433       1.409
+  22   81   59  140 Pr    -  -84686.227       6.142      8346.5163     0.0439  B-   -428.9806     6.9536  139 909085.600       6.593
+  20   80   60  140 Nd    x  -84257.246       3.260      8337.8640     0.0233  B-  -6045.2000    24.0000  139 909546.130       3.500
+  18   79   61  140 Pm    -  -78212.046      24.220      8289.0958     0.1730  B-  -2756.1010    27.2546  139 916035.918      26.001
+  16   78   62  140 Sm    x  -75455.945      12.497      8263.8211     0.0893  B-  -8470.0000    50.0000  139 918994.714      13.416
+  14   77   63  140 Eu    -  -66985.945      51.538      8197.7330     0.3681  B-  -5203.6675    58.6268  139 928087.633      55.328
+  12   76   64  140 Gd    x  -61782.278      27.945      8154.9757     0.1996  B- -11300.0000   800.0000  139 933674.000      30.000
+  10   75   65  140 Tb    -  -50482.278     800.488      8068.6732     5.7178  B-  -7652#       895#      139 945805.048     859.359
+   8   74   66  140 Dy    x  -42830#        401#         8008#         3#      B- -13513#       641#      139 954020#        430#
+   6   73   67  140 Ho   -p  -29317#        500#         7906#         4#      B-      *                  139 968526#        537#
+0 39   90   51  141 Sb    x  -39540#        500#         8069#         4#      B-  11129#       640#      140 957552#        537#
+  37   89   52  141 Te    x  -50670#        400#         8142#         3#      B-   9257#       400#      140 945604#        429#
+  35   88   53  141 I     x  -59926.666      15.835      8202.2562     0.1123  B-   8270.6430    16.0965  140 935666.081      17.000
+  33   87   54  141 Xe    x  -68197.309       2.888      8255.3647     0.0205  B-   6280.0423     9.6378  140 926787.181       3.100
+  31   86   55  141 Cs       -74477.351       9.195      8294.3554     0.0652  B-   5255.1410     9.6174  140 920045.279       9.871
+  29   85   56  141 Ba       -79732.492       5.318      8326.0774     0.0377  B-   3197.3515     6.5510  140 914403.653       5.709
+  27   84   57  141 La       -82929.844       4.127      8343.2050     0.0293  B-   2501.2141     3.9279  140 910971.155       4.430
+  25   83   58  141 Ce       -85431.058       1.315      8355.3956     0.0093  B-    583.4758     1.1784  140 908285.991       1.411
+  23   82   59  141 Pr       -86014.533       1.498      8353.9852     0.0106  B-  -1823.0137     2.8090  140 907659.604       1.607
+  21   81   60  141 Nd    -  -84191.520       3.183      8335.5074     0.0226  B-  -3668.5879    14.3304  140 909616.690       3.417
+  19   80   61  141 Pm    x  -80522.932      13.972      8303.9405     0.0991  B-  -4588.9724    16.3730  140 913555.081      15.000
+  17   79   62  141 Sm       -75933.959       8.535      8265.8460     0.0605  B-  -6008.3127    14.2829  140 918481.545       9.162
+  15   78   63  141 Eu       -69925.647      12.639      8217.6853     0.0896  B-  -6701.4161    23.4562  140 924931.734      13.568
+  13   77   64  141 Gd    x  -63224.231      19.760      8164.6090     0.1401  B-  -8683.3880   107.0975  140 932126.000      21.213
+  11   76   65  141 Tb    x  -54540.843     105.259      8097.4761     0.7465  B-  -9158#       316#      140 941448.000     113.000
+   9   75   66  141 Dy    x  -45382#        298#         8027#         2#      B- -11018#       499#      140 951280#        320#
+   7   74   67  141 Ho   -p  -34364#        401#         7943#         3#      B-      *                  140 963108#        430#
+0 40   91   51  142 Sb    x  -33610#        300#         8027#         2#      B-  12939#       583#      141 963918#        322#
+  38   90   52  142 Te    x  -46550#        500#         8113#         4#      B-   8253#       500#      141 950027#        537#
+  36   89   53  142 I     x  -54802.969       4.937      8165.2517     0.0348  B-  10426.6792     5.6276  141 941166.595       5.300
+  34   88   54  142 Xe    x  -65229.648       2.701      8233.1695     0.0190  B-   5284.9078     7.5655  141 929973.095       2.900
+  32   87   55  142 Cs       -70514.556       7.067      8264.8777     0.0498  B-   7327.7007     8.3627  141 924299.514       7.586
+  30   86   56  142 Ba       -77842.257       5.920      8310.9718     0.0417  B-   2181.6932     8.3754  141 916432.904       6.355
+  28   85   57  142 La       -80023.950       6.286      8320.8263     0.0443  B-   4508.9455     5.8446  141 914090.760       6.748
+  26   84   58  142 Ce       -84532.896       2.443      8347.0700     0.0172  B-   -746.5288     2.4868  141 909250.208       2.623
+  24   83   59  142 Pr       -83786.367       1.498      8336.3032     0.0106  B-   2163.6885     1.3656  141 910051.640       1.607
+  22   82   60  142 Nd       -85950.055       1.256      8346.0310     0.0088  B-  -4808.5196    23.6216  141 907728.824       1.348
+  20   81   61  142 Pm       -81141.536      23.596      8306.6587     0.1662  B-  -2159.6062    23.6524  141 912890.982      25.330
+  18   80   62  142 Sm       -78981.930       1.866      8285.9407     0.0131  B-  -7673.0000    30.0000  141 915209.415       2.002
+  16   79   63  142 Eu    -  -71308.930      30.058      8226.3960     0.2117  B-  -4349.4074    41.0414  141 923446.719      32.268
+  14   78   64  142 Gd    x  -66959.522      27.945      8190.2569     0.1968  B- -10400.0000   700.0000  141 928116.000      30.000
+  12   77   65  142 Tb    -  -56559.522     700.558      8111.5080     4.9335  B-  -6440#       200#      141 939280.858     752.079
+  10   76   66  142 Dy    -  -50120#        729#         8061#         5#      B- -12869#       831#      141 946194#        782#
+   8   75   67  142 Ho    x  -37250#        401#         7965#         3#      B-  -9321#       641#      141 960010#        430#
+   6   74   68  142 Er    x  -27930#        500#         7893#         4#      B-      *                  141 970016#        537#
+0 39   91   52  143 Te    x  -40530#        500#         8070#         3#      B-  10259#       539#      142 956489#        537#
+  37   90   53  143 I     x  -50790#        200#         8137#         1#      B-   9413#       200#      142 945475#        215#
+  35   89   54  143 Xe    x  -60202.882       4.657      8196.8855     0.0326  B-   7472.6365     8.8908  142 935369.550       5.000
+  33   88   55  143 Cs       -67675.519       7.573      8243.6707     0.0530  B-   6261.6865     9.7303  142 927347.346       8.130
+  31   87   56  143 Ba       -73937.205       6.756      8281.9878     0.0472  B-   4234.2623     9.9682  142 920625.149       7.253
+  29   86   57  143 La       -78171.467       7.329      8306.1271     0.0513  B-   3434.9108     7.5812  142 916079.482       7.868
+  27   85   58  143 Ce       -81606.378       2.442      8324.6765     0.0171  B-   1461.8214     1.8649  142 912391.953       2.621
+  25   84   59  143 Pr       -83068.200       1.816      8329.4280     0.0127  B-    934.1107     1.3673  142 910822.624       1.949
+  23   83   60  143 Nd       -84002.310       1.255      8330.4893     0.0088  B-  -1041.6463     2.6830  142 909819.815       1.347
+  21   82   61  143 Pm       -82960.664       2.944      8317.7341     0.0206  B-  -3443.5291     3.5604  142 910938.068       3.160
+  19   81   62  143 Sm       -79517.135       2.750      8288.1825     0.0192  B-  -5275.8240    11.3245  142 914634.848       2.951
+  17   80   63  143 Eu    x  -74241.311      10.986      8245.8177     0.0768  B-  -6010.0000   200.0000  142 920298.678      11.793
+  15   79   64  143 Gd    -  -68231.311     200.301      8198.3188     1.4007  B-  -7812.1185   206.7497  142 926750.678     215.032
+  13   78   65  143 Tb    x  -60419.192      51.232      8138.2176     0.3583  B-  -8250.2433    52.8659  142 935137.332      55.000
+  11   77   66  143 Dy    x  -52168.949      13.041      8075.0527     0.0912  B- -10121#       298#      142 943994.332      14.000
+   9   76   67  143 Ho    x  -42048#        298#         7999#         2#      B- -10887#       499#      142 954860#        320#
+   7   75   68  143 Er    x  -31160#        400#         7917#         3#      B-      *                  142 966548#        429#
+0 40   92   52  144 Te    x  -36220#        300#         8040#         2#      B-   9110#       500#      143 961116#        322#
+  38   91   53  144 I     x  -45330#        400#         8098#         3#      B-  11542#       400#      143 951336#        429#
+  36   90   54  144 Xe    x  -56872.301       5.310      8172.8845     0.0369  B-   6399.0606    20.8203  143 938945.076       5.700
+  34   89   55  144 Cs       -63271.362      20.132      8211.8894     0.1398  B-   8495.7679    20.4163  143 932075.402      21.612
+  32   88   56  144 Ba       -71767.130       7.136      8265.4549     0.0496  B-   3082.5300    14.7744  143 922954.821       7.661
+  30   87   57  144 La    x  -74849.660      12.937      8281.4283     0.0898  B-   5582.2823    13.2432  143 919645.589      13.888
+  28   86   58  144 Ce    +  -80431.942       2.833      8314.7612     0.0197  B-    318.6462     0.8321  143 913652.763       3.041
+  26   85   59  144 Pr    +  -80750.588       2.708      8311.5411     0.0188  B-   2997.4400     2.4000  143 913310.682       2.907
+  24   84   60  144 Nd       -83748.028       1.255      8326.9237     0.0087  B-  -2331.9117     2.6464  143 910092.798       1.346
+  22   83   61  144 Pm       -81416.116       2.912      8305.2969     0.0202  B-    549.5096     2.6679  143 912596.208       3.126
+  20   82   62  144 Sm       -81965.626       1.459      8303.6800     0.0101  B-  -6346.4515    10.8092  143 912006.285       1.566
+  18   81   63  144 Eu       -75619.175      10.787      8254.1744     0.0749  B-  -3859.6633    29.9546  143 918819.481      11.580
+  16   80   64  144 Gd    x  -71759.511      27.945      8221.9382     0.1941  B-  -9391.3235    39.5199  143 922963.000      30.000
+  14   79   65  144 Tb    x  -62368.188      27.945      8151.2877     0.1941  B-  -5798.0965    28.8506  143 933045.000      30.000
+  12   78   66  144 Dy    x  -56570.091       7.173      8105.5902     0.0498  B- -11960.5706    11.1039  143 939269.512       7.700
+  10   77   67  144 Ho    x  -44609.521       8.477      8017.0977     0.0589  B-  -8002#       196#      143 952109.712       9.100
+   8   76   68  144 Er    x  -36608#        196#         7956#         1#      B- -14448#       445#      143 960700#        210#
+   6   75   69  144 Tm   -p  -22159#        400#         7850#         3#      B-      *                  143 976211#        429#
+0 41   93   52  145 Te    x  -30010#        300#         7998#         2#      B-  11120#       583#      144 967783#        322#
+  39   92   53  145 I     x  -41130#        500#         8069#         3#      B-  10363#       500#      144 955845#        537#
+  37   91   54  145 Xe    x  -51493.337      11.178      8135.0877     0.0771  B-   8561.0867    14.3929  144 944719.631      12.000
+  35   90   55  145 Cs       -60054.424       9.067      8188.7342     0.0625  B-   7461.7591    12.4121  144 935528.927       9.733
+  33   89   56  145 Ba    x  -67516.183       8.477      8234.7991     0.0585  B-   5319.1425    14.9122  144 927518.400       9.100
+  31   88   57  145 La       -72835.325      12.269      8266.0873     0.0846  B-   4231.7331    35.2977  144 921808.065      13.170
+  29   87   58  145 Ce       -77067.059      33.900      8289.8762     0.2338  B-   2558.9318    33.6347  144 917265.113      36.393
+  27   86   59  145 Pr       -79625.990       7.149      8302.1285     0.0493  B-   1806.0140     7.0370  144 914517.987       7.674
+  25   85   60  145 Nd       -81432.004       1.271      8309.1883     0.0088  B-   -164.4982     2.5361  144 912579.151       1.364
+  23   84   61  145 Pm       -81267.506       2.805      8302.6583     0.0193  B-   -616.0990     2.5390  144 912755.748       3.011
+  21   83   62  145 Sm       -80651.407       1.485      8293.0139     0.0102  B-  -2659.8832     2.7224  144 913417.157       1.594
+  19   82   63  145 Eu       -77991.524       3.060      8269.2744     0.0211  B-  -5064.8984    19.9521  144 916272.659       3.285
+  17   81   64  145 Gd       -72926.626      19.716      8228.9485     0.1360  B-  -6526.9329   109.7144  144 921710.051      21.165
+  15   80   65  145 Tb       -66399.693     110.896      8178.5397     0.7648  B-  -8157.0853   111.0872  144 928717.001     119.051
+  13   79   66  145 Dy    x  -58242.607       6.520      8116.8884     0.0450  B-  -9122.4943     9.9019  144 937473.992       7.000
+  11   78   67  145 Ho    x  -49120.113       7.452      8048.5792     0.0514  B-  -9880#       200#      144 947267.392       8.000
+   9   77   68  145 Er    x  -39240#        200#         7975#         1#      B- -11657#       280#      144 957874#        215#
+   7   76   69  145 Tm   -p  -27583#        196#         7889#         1#      B-      *                  144 970389#        210#
+0 40   93   53  146 I     x  -35540#        300#         8031#         2#      B-  12415#       301#      145 961846#        322#
+  38   92   54  146 Xe    x  -47954.950      24.219      8110.4154     0.1659  B-   7355.4298    24.3911  145 948518.245      26.000
+  36   91   55  146 Cs    x  -55310.380       2.893      8155.4365     0.0198  B-   9555.8882     3.3918  145 940621.867       3.106
+  34   90   56  146 Ba    x  -64866.269       1.770      8215.5293     0.0121  B-   4354.9052     2.4366  145 930363.200       1.900
+  32   89   57  146 La       -69221.174       1.675      8239.9988     0.0115  B-   6404.6947    14.7146  145 925688.017       1.797
+  30   88   58  146 Ce       -75625.868      14.665      8278.5081     0.1004  B-   1047.6178    32.4842  145 918812.294      15.743
+  28   87   59  146 Pr       -76673.486      34.356      8280.3250     0.2353  B-   4252.4300    34.3686  145 917687.630      36.882
+  26   86   60  146 Nd       -80925.916       1.273      8304.0927     0.0087  B-  -1471.5560     4.1194  145 913122.459       1.366
+  24   85   61  146 Pm    +  -79454.360       4.275      8288.6550     0.0293  B-   1542.0000     3.0000  145 914702.240       4.589
+  22   84   62  146 Sm       -80996.360       3.045      8293.8581     0.0209  B-  -3878.7573     5.8685  145 913046.835       3.269
+  20   83   63  146 Eu       -77117.603       6.009      8261.9327     0.0412  B-  -1031.7798     7.0750  145 917210.852       6.451
+  18   82   64  146 Gd       -76085.823       4.076      8249.5072     0.0279  B-  -8322.1791    44.7488  145 918318.513       4.376
+  16   81   65  146 Tb       -67763.644      44.860      8187.1474     0.3073  B-  -5208.7165    45.1580  145 927252.739      48.159
+  14   80   66  146 Dy       -62554.928       6.695      8146.1128     0.0459  B- -11316.7007     9.3917  145 932844.526       7.187
+  12   79   67  146 Ho       -51238.227       6.587      8063.2426     0.0451  B-  -6916.2074     9.3987  145 944993.503       7.071
+  10   78   68  146 Er       -44322.019       6.705      8010.5127     0.0459  B- -13267#       200#      145 952418.357       7.197
+   8   77   69  146 Tm   -p  -31055#        200#         7914#         1#      B-      *                  145 966661#        215#
+0 41   94   53  147 I     x  -31200#        300#         8001#         2#      B-  11199#       361#      146 966505#        322#
+  39   93   54  147 Xe    x  -42400#        200#         8072#         1#      B-   9520#       200#      146 954482#        215#
+  37   92   55  147 Cs    x  -51920.073       8.383      8131.8010     0.0570  B-   8343.9631    21.4535  146 944261.512       9.000
+  35   91   56  147 Ba    x  -60264.036      19.748      8183.2405     0.1343  B-   6414.3615    22.4660  146 935303.900      21.200
+  33   90   57  147 La    x  -66678.397      10.712      8221.5536     0.0729  B-   5335.5046    13.7248  146 928417.800      11.500
+  31   89   58  147 Ce       -72013.902       8.580      8252.5274     0.0584  B-   3430.1913    15.5317  146 922689.900       9.211
+  29   88   59  147 Pr       -75444.093      15.855      8270.5400     0.1079  B-   2702.7013    15.8571  146 919007.438      17.020
+  27   87   60  147 Nd       -78146.794       1.275      8283.6036     0.0087  B-    895.1896     0.5664  146 916105.969       1.368
+  25   86   61  147 Pm       -79041.984       1.288      8284.3712     0.0088  B-    224.0638     0.2940  146 915144.944       1.382
+  23   85   62  147 Sm       -79266.048       1.262      8280.5734     0.0086  B-  -1721.4367     2.2832  146 914904.401       1.354
+  21   84   63  147 Eu       -77544.611       2.569      8263.5409     0.0175  B-  -2187.6833     2.5273  146 916752.440       2.758
+  19   83   64  147 Gd       -75356.928       1.887      8243.3366     0.0128  B-  -4614.2543     8.1414  146 919101.014       2.025
+  17   82   65  147 Tb       -70742.674       8.096      8206.6250     0.0551  B-  -6546.6266    11.9939  146 924054.620       8.691
+  15   81   66  147 Dy    x  -64196.047       8.849      8156.7680     0.0602  B-  -8438.9460    10.1644  146 931082.712       9.500
+  13   80   67  147 Ho       -55757.101       5.001      8094.0381     0.0340  B-  -9149.2869    38.5173  146 940142.293       5.368
+  11   79   68  147 Er    x  -46607.814      38.191      8026.4760     0.2598  B- -10633.4071    38.7987  146 949964.456      41.000
+   9   78   69  147 Tm       -35974.407       6.839      7948.8178     0.0465  B-      *                  146 961379.887       7.341
+0 40   94   54  148 Xe    x  -38650#        300#         8047#         2#      B-   8261#       300#      147 958508#        322#
+  38   93   55  148 Cs    x  -46910.950      13.041      8097.5469     0.0881  B-  10633.9614    13.1258  147 949639.026      14.000
+  36   92   56  148 Ba    x  -57544.911       1.490      8164.1118     0.0101  B-   5163.8307    19.5252  147 938223.000       1.600
+  34   91   57  148 La    x  -62708.742      19.468      8193.7165     0.1315  B-   7689.6824    22.4573  147 932679.400      20.900
+  32   90   58  148 Ce       -70398.424      11.195      8240.3876     0.0756  B-   2137.0282    12.5663  147 924424.186      12.017
+  30   89   59  148 Pr       -72535.452      15.041      8249.5409     0.1016  B-   4872.6133    15.0858  147 922129.992      16.147
+  28   88   60  148 Nd       -77408.066       2.053      8277.1778     0.0139  B-   -542.1891     5.8755  147 916899.027       2.203
+  26   87   61  148 Pm   +p  -76865.877       5.690      8268.2283     0.0384  B-   2470.1898     5.6409  147 917481.091       6.108
+  24   86   62  148 Sm       -79336.067       1.246      8279.6326     0.0084  B-  -3038.5844     9.9657  147 914829.233       1.337
+  22   85   63  148 Eu       -76297.482       9.961      8253.8155     0.0673  B-    -28.0630     9.9633  147 918091.288      10.693
+  20   84   64  148 Gd       -76269.419       1.460      8248.3398     0.0099  B-  -5732.4723    12.5208  147 918121.414       1.566
+  18   83   65  148 Tb       -70536.947      12.463      8204.3207     0.0842  B-  -2677.5501     9.5961  147 924275.476      13.379
+  16   82   66  148 Dy       -67859.397       8.724      8180.9430     0.0589  B-  -9868.2304    84.2872  147 927149.944       9.365
+  14   81   67  148 Ho    x  -57991.166      83.834      8108.9797     0.5664  B-  -6512.1694    84.4583  147 937743.925      90.000
+  12   80   68  148 Er    x  -51478.997      10.246      8059.6924     0.0692  B- -12713.9630    14.4906  147 944735.026      11.000
+  10   79   69  148 Tm    x  -38765.034      10.246      7968.5011     0.0692  B-  -8535#       400#      147 958384.026      11.000
+   8   78   70  148 Yb    x  -30230#        400#         7906#         3#      B-      *                  147 967547#        429#
+0 41   95   54  149 Xe    x  -33000#        300#         8009#         2#      B-  10300#       500#      148 964573#        322#
+  39   94   55  149 Cs    x  -43300#        400#         8073#         3#      B-   9531#       400#      148 953516#        429#
+  37   93   56  149 Ba    x  -52830.620       2.515      8131.8495     0.0169  B-   7389.3010   200.2781  148 943284.000       2.700
+  35   92   57  149 La    +  -60219.921     200.262      8176.1915     1.3440  B-   6450.0000   200.0000  148 935351.259     214.990
+  33   91   58  149 Ce    x  -66669.921      10.246      8214.2294     0.0688  B-   4369.4525    14.2296  148 928426.900      11.000
+  31   90   59  149 Pr    x  -71039.373       9.874      8238.3040     0.0663  B-   3336.1617    10.0853  148 923736.100      10.600
+  29   89   60  149 Nd   -n  -74375.535       2.054      8255.4437     0.0138  B-   1688.8697     2.4588  148 920154.583       2.205
+  27   88   61  149 Pm       -76064.404       2.184      8261.5277     0.0147  B-   1071.4936     1.8747  148 918341.507       2.344
+  25   87   62  149 Sm       -77135.898       1.157      8263.4683     0.0078  B-   -694.5812     3.7881  148 917191.211       1.241
+  23   86   63  149 Eu       -76441.317       3.903      8253.5560     0.0262  B-  -1314.1437     4.1361  148 917936.875       4.190
+  21   85   64  149 Gd       -75127.173       3.310      8239.4856     0.0222  B-  -3638.5336     4.3388  148 919347.666       3.553
+  19   84   65  149 Tb       -71488.639       3.629      8209.8153     0.0244  B-  -3794.6493     9.1335  148 923253.792       3.895
+  17   83   66  149 Dy       -67693.990       9.183      8179.0972     0.0616  B-  -6048.1366    12.7928  148 927327.516       9.858
+  15   82   67  149 Ho       -61645.854      11.985      8133.2550     0.0804  B-  -7904.2328    30.4066  148 933820.457      12.866
+  13   81   68  149 Er    x  -53741.621      27.945      8074.9558     0.1875  B-  -9801#       202#      148 942306.000      30.000
+  11   80   69  149 Tm    x  -43940#        200#         8004#         1#      B- -10611#       361#      148 952828#        215#
+   9   79   70  149 Yb    x  -33330#        300#         7927#         2#      B-      *                  148 964219#        322#
+0 42   96   54  150 Xe    x  -28990#        300#         7983#         2#      B-   9180#       500#      149 968878#        322#
+  40   95   55  150 Cs    x  -38170#        400#         8039#         3#      B-  11720#       400#      149 959023#        429#
+  38   94   56  150 Ba    x  -49889.799       5.682      8111.8405     0.0379  B-   6421.3477     6.2138  149 946441.100       6.100
+  36   93   57  150 La    x  -56311.147       2.515      8149.4339     0.0168  B-   8535.7155    11.9641  149 939547.500       2.700
+  34   92   58  150 Ce       -64846.863      11.697      8201.1230     0.0780  B-   3453.6462    14.2913  149 930384.032      12.556
+  32   91   59  150 Pr       -68300.509       9.015      8218.9316     0.0601  B-   5379.4422     9.0682  149 926676.391       9.677
+  30   90   60  150 Nd       -73679.951       1.129      8249.5789     0.0075  B-    -82.6155    20.0010  149 920901.322       1.211
+  28   89   61  150 Pm    +  -73597.336      20.031      8243.8125     0.1335  B-   3454.0000    20.0000  149 920990.014      21.504
+  26   88   62  150 Sm       -77051.336       1.112      8261.6235     0.0074  B-  -2258.9662     6.1803  149 917281.993       1.193
+  24   87   63  150 Eu       -74792.369       6.231      8241.3481     0.0415  B-    971.6815     3.5428  149 919707.092       6.688
+  22   86   64  150 Gd       -75764.051       6.055      8242.6103     0.0404  B-  -4658.2621     8.3784  149 918663.949       6.500
+  20   85   65  150 Tb       -71105.789       7.371      8206.3396     0.0491  B-  -1796.1707     8.3886  149 923664.799       7.912
+  18   84   66  150 Dy       -69309.618       4.319      8189.1495     0.0288  B-  -7363.7264    14.4629  149 925593.068       4.636
+  16   83   67  150 Ho       -61945.892      14.168      8134.8423     0.0945  B-  -4114.5689    13.5910  149 933498.353      15.209
+  14   82   68  150 Er       -57831.323      17.194      8102.1962     0.1146  B- -11340#       196#      149 937915.524      18.458
+  12   81   69  150 Tm    x  -46491#        196#         8021#         1#      B-  -7661#       358#      149 950090#        210#
+  10   80   70  150 Yb    x  -38830#        300#         7965#         2#      B- -14059#       424#      149 958314#        322#
+   8   79   71  150 Lu   -p  -24771#        300#         7866#         2#      B-      *                  149 973407#        322#
+0 41   96   55  151 Cs    x  -34280#        500#         8013#         3#      B-  10660#       640#      150 963199#        537#
+  39   95   56  151 Ba    x  -44940#        400#         8079#         3#      B-   8370#       591#      150 951755#        429#
+  37   94   57  151 La    x  -53310.339     435.473      8129.0436     2.8839  B-   7914.7191   435.8330  150 942769.000     467.500
+  35   93   58  151 Ce    x  -61225.058      17.698      8176.2779     0.1172  B-   5554.6233    21.1885  150 934272.200      19.000
+  33   92   59  151 Pr       -66779.681      11.650      8207.8824     0.0772  B-   4163.5021    11.6789  150 928309.066      12.506
+  31   91   60  151 Nd       -70943.183       1.133      8230.2741     0.0075  B-   2443.0767     4.4734  150 923839.363       1.215
+  29   90   61  151 Pm       -73386.260       4.611      8241.2723     0.0305  B-   1190.2198     4.4757  150 921216.613       4.949
+  27   89   62  151 Sm       -74576.480       1.110      8243.9735     0.0074  B-     76.6182     0.5375  150 919938.859       1.191
+  25   88   63  151 Eu       -74653.098       1.166      8239.2998     0.0077  B-   -464.1779     2.7791  150 919856.606       1.251
+  23   87   64  151 Gd       -74188.920       2.993      8231.0446     0.0198  B-  -2565.3796     3.7615  150 920354.922       3.212
+  21   86   65  151 Tb       -71623.541       4.094      8208.8743     0.0271  B-  -2871.1525     4.9455  150 923108.970       4.395
+  19   85   66  151 Dy   -a  -68752.388       3.247      8184.6789     0.0215  B-  -5129.6421     8.7507  150 926191.279       3.486
+  17   84   67  151 Ho   -a  -63622.746       8.298      8145.5267     0.0550  B-  -5356.4558    18.4420  150 931698.176       8.908
+  15   83   68  151 Er    x  -58266.290      16.470      8104.8723     0.1091  B-  -7494.6768    25.4292  150 937448.567      17.681
+  13   82   69  151 Tm       -50771.613      19.375      8050.0576     0.1283  B-  -9229.2615   300.1329  150 945494.433      20.799
+  11   81   70  151 Yb   ep  -41542.352     300.492      7983.7556     1.9900  B- -11242#       425#      150 955402.453     322.591
+   9   80   71  151 Lu   -p  -30300#        300#         7904#         2#      B-      *                  150 967471#        322#
+0 42   97   55  152 Cs    x  -29130#        500#         7980#         3#      B-  12480#       640#      151 968728#        537#
+  40   96   56  152 Ba    x  -41610#        400#         8057#         3#      B-   7680#       500#      151 955330#        429#
+  38   95   57  152 La    x  -49290#        300#         8102#         2#      B-   9690#       361#      151 947085#        322#
+  36   94   58  152 Ce    x  -58980#        200#         8161#         1#      B-   4778#       201#      151 936682#        215#
+  34   93   59  152 Pr    x  -63758.070      18.537      8187.1049     0.1220  B-   6391.5934    30.7035  151 931552.900      19.900
+  32   92   60  152 Nd       -70149.663      24.476      8224.0078     0.1610  B-   1104.8050    18.5011  151 924691.242      26.276
+  30   91   61  152 Pm       -71254.468      25.904      8226.1293     0.1704  B-   3508.5089    25.8859  151 923505.185      27.809
+  28   90   62  152 Sm       -74762.977       1.016      8244.0645     0.0067  B-  -1874.4774     0.6857  151 919738.646       1.090
+  26   89   63  152 Eu       -72888.500       1.166      8226.5854     0.0077  B-   1818.8037     0.7002  151 921750.980       1.252
+  24   88   64  152 Gd       -74707.304       1.007      8233.4042     0.0066  B-  -3990.0000    40.0000  151 919798.414       1.081
+  22   87   65  152 Tb    -  -70717.304      40.013      8202.0072     0.2632  B-   -599.3405    40.2575  151 924081.855      42.955
+  20   86   66  152 Dy   -a  -70117.963       4.593      8192.9171     0.0302  B-  -6513.3275    13.3176  151 924725.274       4.930
+  18   85   67  152 Ho       -63604.636      12.528      8144.9193     0.0824  B-  -3104.4174     9.8150  151 931717.618      13.449
+  16   84   68  152 Er       -60500.218       8.830      8119.3485     0.0581  B-  -8779.9397    54.7434  151 935050.347       9.478
+  14   83   69  152 Tm       -51720.279      54.027      8056.4387     0.3554  B-  -5449.8923   139.6200  151 944476.000      58.000
+  12   82   70  152 Yb       -46270.386     149.708      8015.4371     0.9849  B- -12848#       246#      151 950326.699     160.718
+  10   81   71  152 Lu    x  -33422#        196#         7926#         1#      B-      *                  151 964120#        210#
+0 41   97   56  153 Ba    x  -36470#        400#         8023#         3#      B-   9590#       500#      152 960848#        429#
+  39   96   57  153 La    x  -46060#        300#         8081#         2#      B-   8850#       361#      152 950553#        322#
+  37   95   58  153 Ce    x  -54910#        200#         8134#         1#      B-   6659#       201#      152 941052#        215#
+  35   94   59  153 Pr       -61568.490      11.882      8172.0371     0.0777  B-   5761.8901    12.1896  152 933903.511      12.755
+  33   93   60  153 Nd       -67330.380       2.747      8204.5832     0.0180  B-   3317.6236     9.3521  152 927717.868       2.949
+  31   92   61  153 Pm       -70648.003       9.063      8221.1536     0.0592  B-   1912.0559     9.0829  152 924156.252       9.729
+  29   91   62  153 Sm   -n  -72560.059       1.025      8228.5373     0.0067  B-    807.4073     0.7063  152 922103.576       1.100
+  27   90   63  153 Eu       -73367.466       1.171      8228.7011     0.0077  B-   -484.5225     0.7150  152 921236.789       1.257
+  25   89   64  153 Gd       -72882.944       1.002      8220.4209     0.0066  B-  -1569.3340     3.8444  152 921756.945       1.075
+  23   88   65  153 Tb       -71313.610       3.947      8205.0504     0.0258  B-  -2170.4134     1.9335  152 923441.694       4.237
+  21   87   66  153 Dy       -69143.197       4.001      8185.7514     0.0262  B-  -4131.1229     6.1571  152 925771.729       4.295
+  19   86   67  153 Ho   -a  -65012.074       5.066      8153.6372     0.0331  B-  -4545.3918     9.8899  152 930206.671       5.438
+  17   85   68  153 Er       -60466.682       9.285      8118.8154     0.0607  B-  -6494.0723    12.8812  152 935086.350       9.967
+  15   84   69  153 Tm       -53972.610      11.979      8071.2571     0.0783  B-  -6813#       201#      152 942058.023      12.860
+  13   83   70  153 Yb    x  -47160#        200#         8022#         1#      B-  -8784#       250#      152 949372#        215#
+  11   82   71  153 Lu   +a  -38375.462     150.017      7959.0882     0.9805  B- -11075#       335#      152 958802.248     161.050
+   9   81   72  153 Hf    x  -27300#        300#         7882#         2#      B-      *                  152 970692#        322#
+0 42   98   56  154 Ba    x  -32920#        500#         8001#         3#      B-   8610#       583#      153 964659#        537#
+  40   97   57  154 La    x  -41530#        300#         8051#         2#      B-  10690#       361#      153 955416#        322#
+  38   96   58  154 Ce    x  -52220#        200#         8116#         1#      B-   5640#       224#      153 943940#        215#
+  36   95   59  154 Pr    +  -57859.602     100.005      8147.2994     0.6494  B-   7720.0000   100.0000  153 937885.165     107.360
+  34   94   60  154 Nd    x  -65579.602       1.025      8192.3491     0.0067  B-   2687.0000    25.0000  153 929597.404       1.100
+  32   93   61  154 Pm    -  -68266.602      25.021      8204.7170     0.1625  B-   4188.9614    25.0550  153 926712.791      26.861
+  30   92   62  154 Sm       -72455.564       1.305      8226.8379     0.0085  B-   -717.1969     1.1019  153 922215.756       1.400
+  28   91   63  154 Eu       -71738.367       1.188      8217.1006     0.0077  B-   1967.9913     0.7535  153 922985.699       1.275
+  26   90   64  154 Gd       -73706.358       0.994      8224.7996     0.0065  B-  -3549.6514    45.2983  153 920872.974       1.066
+  24   89   65  154 Tb    -  -70156.707      45.309      8196.6697     0.2942  B-    237.3080    45.9008  153 924683.681      48.641
+  22   88   66  154 Dy       -70394.015       7.431      8193.1305     0.0483  B-  -5754.6363    10.1785  153 924428.920       7.977
+  20   87   67  154 Ho   -a  -64639.378       8.216      8150.6825     0.0534  B-  -2034.4045     9.4621  153 930606.776       8.820
+  18   86   68  154 Er       -62604.974       4.961      8132.3919     0.0322  B-  -8177.8316    14.9113  153 932790.799       5.325
+  16   85   69  154 Tm   -a  -54427.142      14.412      8074.2090     0.0936  B-  -4495.0495    13.9528  153 941570.062      15.471
+  14   84   70  154 Yb       -49932.093      17.281      8039.9402     0.1122  B- -10265#       201#      153 946395.696      18.551
+  12   83   71  154 Lu   +a  -39667#        201#         7968#         1#      B-  -6937#       361#      153 957416#        216#
+  10   82   72  154 Hf    x  -32730#        300#         7918#         2#      B-      *                  153 964863#        322#
+0 41   98   57  155 La    x  -37930#        400#         8028#         3#      B-   9850#       500#      154 959280#        429#
+  39   97   58  155 Ce    x  -47780#        300#         8087#         2#      B-   7635#       300#      154 948706#        322#
+  37   96   59  155 Pr       -55415.335      17.198      8131.0398     0.1110  B-   6868.4609    19.4725  154 940509.193      18.462
+  35   95   60  155 Nd       -62283.796       9.154      8170.3050     0.0591  B-   4656.2095    10.2781  154 933135.598       9.826
+  33   94   61  155 Pm       -66940.006       4.719      8195.2977     0.0304  B-   3251.1999     4.9024  154 928136.951       5.065
+  31   93   62  155 Sm   -n  -70191.206       1.332      8211.2258     0.0086  B-   1627.1314     1.2016  154 924646.645       1.429
+  29   92   63  155 Eu       -71818.337       1.252      8216.6760     0.0081  B-    251.9612     0.8682  154 922899.847       1.343
+  27   91   64  155 Gd       -72070.298       0.983      8213.2541     0.0063  B-   -819.8588     9.7884  154 922629.356       1.055
+  25   90   65  155 Tb    +  -71250.439       9.830      8202.9173     0.0634  B-  -2094.5000     1.8974  154 923509.511      10.552
+  23   89   66  155 Dy       -69155.939       9.645      8184.3570     0.0622  B-  -3116.1405    16.5887  154 925758.049      10.354
+  21   88   67  155 Ho       -66039.799      17.470      8159.2055     0.1127  B-  -3830.6268    18.4730  154 929103.363      18.754
+  19   87   68  155 Er   -a  -62209.172       6.074      8129.4444     0.0392  B-  -5583.2509    11.5109  154 933215.710       6.520
+  17   86   69  155 Tm   -a  -56625.921       9.921      8088.3760     0.0640  B-  -6123.3072    19.3388  154 939209.576      10.651
+  15   85   70  155 Yb   -a  -50502.614      16.600      8043.8234     0.1071  B-  -7957.5578    25.4153  154 945783.216      17.820
+  13   84   71  155 Lu       -42545.056      19.245      7987.4369     0.1242  B-  -8235#       301#      154 954326.005      20.660
+  11   83   72  155 Hf    x  -34310#        300#         7929#         2#      B- -10322#       424#      154 963167#        322#
+   9   82   73  155 Ta   -p  -23988#        300#         7858#         2#      B-      *                  154 974248#        322#
+0 42   99   57  156 La    x  -33050#        400#         7997#         3#      B-  11769#       500#      155 964519#        429#
+  40   98   58  156 Ce    x  -44820#        300#         8068#         2#      B-   6630#       300#      155 951884#        322#
+  38   97   59  156 Pr    x  -51449.307       1.025      8105.2337     0.0066  B-   8752.8229     1.6585  155 944766.900       1.100
+  36   96   60  156 Nd    x  -60202.130       1.304      8156.3265     0.0084  B-   3964.7175     1.7642  155 935370.358       1.400
+  34   95   61  156 Pm       -64166.847       1.188      8176.7263     0.0076  B-   5193.8878     8.6044  155 931114.059       1.275
+  32   94   62  156 Sm       -69360.735       8.522      8205.0054     0.0546  B-    722.1090     7.9025  155 925538.191       9.148
+  30   93   63  156 Eu       -70082.844       3.532      8204.6192     0.0226  B-   2452.4891     3.4083  155 924762.976       3.791
+  28   92   64  156 Gd       -72535.333       0.983      8215.3253     0.0063  B-  -2444.3230     3.6774  155 922130.120       1.054
+  26   91   65  156 Tb       -70091.010       3.768      8194.6415     0.0242  B-    438.3762     3.6789  155 924754.209       4.044
+  24   90   66  156 Dy       -70529.386       0.988      8192.4366     0.0063  B-  -4990.9836    38.4111  155 924283.593       1.060
+  22   89   67  156 Ho    -  -65538.403      38.424      8155.4280     0.2463  B-  -1326.7201    45.6391  155 929641.634      41.249
+  20   88   68  156 Er       -64211.683      24.629      8141.9084     0.1579  B-  -7377.2657    26.7099  155 931065.926      26.440
+  18   87   69  156 Tm       -56834.417      14.279      8089.6032     0.0915  B-  -3568.8794    12.5484  155 938985.746      15.328
+  16   86   70  156 Yb       -53265.538       9.308      8061.7107     0.0597  B-  -9565.9880    54.9162  155 942817.096       9.992
+  14   85   71  156 Lu   -a  -43699.550      54.122      7995.3752     0.3469  B-  -5880.0352   139.6908  155 953086.606      58.102
+  12   84   72  156 Hf       -37819.514     149.740      7952.6676     0.9599  B- -11819#       335#      155 959399.083     160.752
+  10   83   73  156 Ta   -p  -26001#        300#         7872#         2#      B-      *                  155 972087#        322#
+0 43  100   57  157 La    x  -29070#        300#         7972#         2#      B-  10860#       500#      156 968792#        322#
+  41   99   58  157 Ce    x  -39930#        400#         8037#         3#      B-   8504#       400#      156 957133#        429#
+  39   98   59  157 Pr    x  -48434.806       3.167      8085.8170     0.0202  B-   8059.3109     3.8207  156 948003.100       3.400
+  37   97   60  157 Nd       -56494.117       2.137      8132.1671     0.0136  B-   5802.9994     7.3246  156 939351.074       2.294
+  35   96   61  157 Pm       -62297.116       7.006      8164.1458     0.0446  B-   4380.5376     8.2650  156 933121.298       7.521
+  33   95   62  157 Sm       -66677.654       4.434      8187.0642     0.0282  B-   2781.4807     6.1191  156 928418.598       4.759
+  31   94   63  157 Eu       -69459.134       4.234      8199.7975     0.0270  B-   1364.7614     4.1973  156 925432.556       4.545
+  29   93   64  157 Gd       -70823.896       0.977      8203.5072     0.0062  B-    -60.0473     0.2972  156 923967.424       1.048
+  27   92   65  157 Tb       -70763.848       1.018      8198.1416     0.0065  B-  -1339.1791     5.1297  156 924031.888       1.092
+  25   91   66  157 Dy       -69424.669       5.154      8184.6287     0.0328  B-  -2591.8068    23.7839  156 925469.555       5.532
+  23   90   67  157 Ho       -66832.862      23.469      8163.1373     0.1495  B-  -3419.2146    33.6675  156 928251.974      25.194
+  21   89   68  157 Er       -63413.648      26.505      8136.3757     0.1688  B-  -4704.3690    38.5152  156 931922.652      28.454
+  19   88   69  157 Tm    x  -58709.279      27.945      8101.4285     0.1780  B-  -5289.3667    29.9971  156 936973.000      30.000
+  17   87   70  157 Yb       -53419.912      10.905      8062.7551     0.0695  B-  -6980.0942    14.2406  156 942651.368      11.706
+  15   86   71  157 Lu       -46439.818      12.074      8013.3128     0.0769  B-  -7585#       201#      156 950144.807      12.961
+  13   85   72  157 Hf   -a  -38855#        200#         7960#         1#      B-  -9259#       250#      156 958288#        215#
+  11   84   73  157 Ta   IT  -29595.948     150.052      7896.0608     0.9557  B-  -9906#       427#      156 968227.445     161.087
+   9   83   74  157 W     x  -19690#        400#         7828#         3#      B-      *                  156 978862#        429#
+0 42  100   58  158 Ce    x  -36540#        400#         8015#         3#      B-   7610#       500#      157 960773#        429#
+  40   99   59  158 Pr    x  -44150#        300#         8059#         2#      B-   9685#       300#      157 952603#        322#
+  38   98   60  158 Nd    x  -53835.123       1.304      8114.9529     0.0083  B-   5271.0196     1.5776  157 942205.620       1.400
+  36   97   61  158 Pm       -59106.143       0.888      8143.3622     0.0056  B-   6145.7062     4.8634  157 936546.948       0.953
+  34   96   62  158 Sm       -65251.849       4.782      8177.3075     0.0303  B-   2018.6123     5.1146  157 929949.262       5.133
+  32   95   63  158 Eu       -67270.461       2.032      8185.1320     0.0129  B-   3419.5081     2.2547  157 927782.192       2.181
+  30   94   64  158 Gd       -70689.969       0.976      8201.8229     0.0062  B-  -1219.0862     0.9799  157 924111.200       1.048
+  28   93   65  158 Tb       -69470.883       1.268      8189.1556     0.0080  B-    936.2686     2.4750  157 925419.942       1.360
+  26   92   66  158 Dy       -70407.152       2.337      8190.1298     0.0148  B-  -4219.7555    27.0048  157 924414.817       2.509
+  24   91   67  158 Ho    -  -66187.396      27.106      8158.4709     0.1716  B-   -883.5812    37.0236  157 928944.910      29.099
+  22   90   68  158 Er       -65303.815      25.219      8147.9270     0.1596  B-  -6600.6151    31.3411  157 929893.474      27.074
+  20   89   69  158 Tm       -58703.200      25.219      8101.1994     0.1596  B-  -2693.5796    26.4499  157 936979.525      27.074
+  18   88   70  158 Yb       -56009.620       7.973      8079.1999     0.0505  B-  -8797.4201    16.8655  157 939871.202       8.559
+  16   87   71  158 Lu   -a  -47212.200      15.125      8018.5685     0.0957  B-  -5109.8010    14.9373  157 949315.620      16.236
+  14   86   72  158 Hf       -42102.399      17.494      7981.2764     0.1107  B- -10984#       201#      157 954801.217      18.780
+  12   85   73  158 Ta   +a  -31118#        201#         7907#         1#      B-  -7426#       361#      157 966593#        215#
+  10   84   74  158 W    -a  -23693#        300#         7855#         2#      B-      *                  157 974565#        322#
+0 43  101   58  159 Ce    x  -31340#        500#         7983#         3#      B-   9430#       640#      158 966355#        537#
+  41  100   59  159 Pr    x  -40770#        400#         8037#         3#      B-   8954#       401#      158 956232#        429#
+  39   99   60  159 Nd    x  -49724.007      29.808      8088.8224     0.1875  B-   6830.3441    31.4529  158 946619.085      32.000
+  37   98   61  159 Pm       -56554.351      10.039      8126.8601     0.0631  B-   5653.4982    11.6438  158 939286.409      10.777
+  35   97   62  159 Sm       -62207.849       5.934      8157.4963     0.0373  B-   3835.5363     7.3211  158 933217.130       6.370
+  33   96   63  159 Eu       -66043.386       4.320      8176.6987     0.0272  B-   2518.4717     4.3657  158 929099.512       4.637
+  31   95   64  159 Gd       -68561.857       0.980      8187.6177     0.0062  B-    970.7242     0.7495  158 926395.822       1.051
+  29   94   65  159 Tb       -69532.582       1.103      8188.8025     0.0069  B-   -365.3613     1.1573  158 925353.707       1.184
+  27   93   66  159 Dy       -69167.220       1.439      8181.5842     0.0091  B-  -1837.6000     2.6833  158 925745.938       1.544
+  25   92   67  159 Ho    -  -67329.620       3.045      8165.1066     0.0192  B-  -2768.5000     2.0000  158 927718.683       3.268
+  23   91   68  159 Er    -  -64561.120       3.643      8142.7742     0.0229  B-  -3990.7162    28.1813  158 930690.790       3.910
+  21   90   69  159 Tm    x  -60570.404      27.945      8112.7549     0.1758  B-  -4736.8869    33.0155  158 934975.000      30.000
+  19   89   70  159 Yb    x  -55833.517      17.582      8078.0428     0.1106  B-  -6124.9081    41.5648  158 940060.257      18.874
+  17   88   71  159 Lu    x  -49708.609      37.663      8034.6009     0.2369  B-  -6856.0030    41.2456  158 946635.615      40.433
+  15   87   72  159 Hf   -a  -42852.606      16.813      7986.5610     0.1057  B-  -8413.4492    25.8909  158 953995.837      18.049
+  13   86   73  159 Ta   IT  -34439.157      19.689      7928.7258     0.1238  B-  -9005#       301#      158 963028.046      21.137
+  11   85   74  159 W    -a  -25434#        300#         7867#         2#      B- -10629#       427#      158 972696#        322#
+   9   84   75  159 Re   IT  -14805#        305#         7795#         2#      B-      *                  158 984106#        327#
+0 42  101   59  160 Pr    x  -36200#        400#         8009#         2#      B-  10525#       402#      159 961138#        429#
+  40  100   60  160 Nd    x  -46724.515      46.575      8069.9662     0.2911  B-   6170.1238    46.6198  159 949839.172      50.000
+  38   99   61  160 Pm    x  -52894.639       2.049      8103.6398     0.0128  B-   7338.5338     2.8330  159 943215.272       2.200
+  36   98   62  160 Sm    x  -60233.172       1.956      8144.6159     0.0122  B-   3260.2763     2.1547  159 935337.032       2.100
+  34   97   63  160 Eu    x  -63493.449       0.904      8160.1030     0.0057  B-   4448.6112     1.4417  159 931836.982       0.970
+  32   96   64  160 Gd       -67942.060       1.123      8183.0171     0.0070  B-   -105.5863     1.0207  159 927061.202       1.206
+  30   95   65  160 Tb       -67836.474       1.110      8177.4676     0.0069  B-   1835.9516     1.1011  159 927174.553       1.191
+  28   94   66  160 Dy       -69672.425       0.700      8184.0526     0.0044  B-  -3290.0000    15.0000  159 925203.578       0.751
+  26   93   67  160 Ho    -  -66382.425      15.016      8158.6004     0.0939  B-   -318.2488    28.5197  159 928735.538      16.120
+  24   92   68  160 Er       -66064.176      24.246      8151.7217     0.1515  B-  -5763.1395    39.1333  159 929077.193      26.029
+  22   91   69  160 Tm       -60301.037      32.686      8110.8124     0.2043  B-  -2137.8101    33.1447  159 935264.177      35.089
+  20   90   70  160 Yb    x  -58163.227       5.496      8092.5614     0.0343  B-  -7893.2846    57.0863  159 937559.210       5.900
+  18   89   71  160 Lu    x  -50269.942      56.821      8038.3387     0.3551  B-  -4331.1951    57.6165  159 946033.000      61.000
+  16   88   72  160 Hf       -45938.747       9.540      8006.3791     0.0596  B- -10115.0475    55.1472  159 950682.728      10.241
+  14   87   73  160 Ta   -a  -35823.700      54.316      7938.2704     0.3395  B-  -6494.6267   139.8413  159 961541.678      58.310
+  12   86   74  160 W        -29329.073     149.810      7892.7893     0.9363  B- -12451#       335#      159 968513.946     160.828
+  10   85   75  160 Re   -a  -16878#        300#         7810#         2#      B-      *                  159 981880#        322#
+0 43  102   59  161 Pr    x  -32490#        500#         7986#         3#      B-   9741#       640#      160 965121#        537#
+  41  101   60  161 Nd    x  -42230#        400#         8042#         2#      B-   7856#       400#      160 954664#        429#
+  39  100   61  161 Pm    x  -50086.589       9.035      8085.9977     0.0561  B-   6585.4546    11.3187  160 946229.837       9.700
+  37   99   62  161 Sm       -56672.043       6.817      8122.0418     0.0423  B-   5119.5577    12.4147  160 939160.062       7.318
+  35   98   63  161 Eu       -61791.601      10.400      8148.9810     0.0646  B-   3714.5406    10.5074  160 933663.991      11.164
+  33   97   64  161 Gd   -n  -65506.142       1.504      8167.1934     0.0093  B-   1955.6357     1.4402  160 929676.267       1.614
+  31   96   65  161 Tb       -67461.778       1.218      8174.4809     0.0076  B-    593.7166     1.2010  160 927576.806       1.308
+  29   95   66  161 Dy       -68055.494       0.697      8173.3093     0.0043  B-   -859.2003     2.1368  160 926939.425       0.748
+  27   94   67  161 Ho       -67196.294       2.151      8163.1134     0.0134  B-  -1994.9954     9.0041  160 927861.815       2.309
+  25   93   68  161 Er   +n  -65201.298       8.774      8145.8628     0.0545  B-  -3302.5839    29.2899  160 930003.530       9.419
+  23   92   69  161 Tm    x  -61898.715      27.945      8120.4906     0.1736  B-  -4064.4665    31.7640  160 933549.000      30.000
+  21   91   70  161 Yb    x  -57834.248      15.101      8090.3861     0.0938  B-  -5271.8989    31.7640  160 937912.384      16.211
+  19   90   71  161 Lu    x  -52562.349      27.945      8052.7821     0.1736  B-  -6246.5319    36.4805  160 943572.000      30.000
+  17   89   72  161 Hf       -46315.817      23.450      8009.1245     0.1457  B-  -7537.2421    33.7278  160 950277.927      25.174
+  15   88   73  161 Ta   +a  -38778.575      24.381      7957.4500     0.1514  B-  -8272#       202#      160 958369.489      26.174
+  13   87   74  161 W    -a  -30507#        200#         7901#         1#      B-  -9664#       250#      160 967249#        215#
+  11   86   75  161 Re       -20842.820     149.905      7836.3292     0.9311  B- -10647#       427#      160 977624.313     160.930
+   9   85   76  161 Os   -a  -10196#        400#         7765#         2#      B-      *                  160 989054#        429#
+0 42  102   60  162 Nd    x  -39010#        400#         8022#         2#      B-   7030#       500#      161 958121#        429#
+  40  101   61  162 Pm    x  -46040#        300#         8061#         2#      B-   8339#       300#      161 950574#        322#
+  38  100   62  162 Sm       -54379.053       3.523      8107.5745     0.0218  B-   4343.8905     3.7605  161 941621.687       3.782
+  36   99   63  162 Eu       -58722.944       1.314      8129.5593     0.0081  B-   5557.7761     4.1748  161 936958.329       1.410
+  34   98   64  162 Gd  -nn  -64280.720       3.963      8159.0373     0.0245  B-   1598.8278     4.4611  161 930991.812       4.254
+  32   97   65  162 Tb    x  -65879.548       2.049      8164.0773     0.0127  B-   2301.6217     2.1640  161 929275.400       2.200
+  30   96   66  162 Dy       -68181.169       0.695      8173.4555     0.0043  B-  -2140.6068     3.0926  161 926804.507       0.746
+  28   95   67  162 Ho       -66040.563       3.102      8155.4126     0.0192  B-    293.6478     3.1069  161 929102.543       3.330
+  26   94   68  162 Er       -66334.210       0.756      8152.3959     0.0047  B-  -4856.7282    26.0475  161 928787.299       0.811
+  24   93   69  162 Tm    -  -61477.482      26.058      8117.5868     0.1609  B-  -1656.3190    30.1127  161 934001.211      27.974
+  22   92   70  162 Yb    x  -59821.163      15.103      8102.5333     0.0932  B-  -6989.4042    76.5406  161 935779.342      16.213
+  20   91   71  162 Lu    x  -52831.759      75.036      8054.5596     0.4632  B-  -3663.3333    75.5679  161 943282.776      80.554
+  18   90   72  162 Hf       -49168.426       8.952      8027.1171     0.0553  B-  -9387.0211    63.8938  161 947215.526       9.610
+  16   89   73  162 Ta   -a  -39781.405      63.322      7964.3432     0.3909  B-  -5782.1880    63.3235  161 957292.907      67.979
+  14   88   74  162 W        -33999.217      17.657      7923.8214     0.1090  B- -11546#       201#      161 963500.341      18.955
+  12   87   75  162 Re   +a  -22453#        201#         7848#         1#      B-  -7953#       361#      161 975896#        215#
+  10   86   76  162 Os   -a  -14500#        300#         7794#         2#      B-      *                  161 984434#        322#
+0 43  103   60  163 Nd    x  -34080#        500#         7992#         3#      B-   8880#       640#      162 963414#        537#
+  41  102   61  163 Pm    x  -42960#        400#         8042#         2#      B-   7640#       400#      162 953881#        429#
+  39  101   62  163 Sm    x  -50599.612       7.359      8084.1653     0.0451  B-   5974.2073     7.4141  162 945679.085       7.900
+  37  100   63  163 Eu    x  -56573.819       0.904      8116.0172     0.0056  B-   4814.7720     1.2046  162 939265.510       0.970
+  35   99   64  163 Gd       -61388.591       0.797      8140.7560     0.0049  B-   3207.1628     4.1374  162 934096.640       0.855
+  33   98   65  163 Tb   +p  -64595.754       4.060      8155.6322     0.0249  B-   1785.1041     4.0006  162 930653.609       4.358
+  31   97   66  163 Dy       -66380.858       0.693      8161.7840     0.0043  B-     -2.8309     0.0222  162 928737.221       0.744
+  29   96   67  163 Ho       -66378.027       0.693      8156.9670     0.0043  B-  -1210.6141     4.5755  162 928740.260       0.744
+  27   95   68  163 Er       -65167.413       4.628      8144.7403     0.0284  B-  -2439.0000     3.0000  162 930039.908       4.967
+  25   94   69  163 Tm    -  -62728.413       5.515      8124.9774     0.0338  B-  -3434.5345    16.0687  162 932658.282       5.920
+  23   93   70  163 Yb    x  -59293.878      15.105      8099.1069     0.0927  B-  -4502.4636    31.7657  162 936345.406      16.215
+  21   92   71  163 Lu    x  -54791.415      27.945      8066.6848     0.1714  B-  -5522.0944    37.9611  162 941179.000      30.000
+  19   91   72  163 Hf       -49269.320      25.693      8028.0072     0.1576  B-  -6734.6864    45.9217  162 947107.211      27.582
+  17   90   73  163 Ta   -a  -42534.634      38.061      7981.8905     0.2335  B-  -7626.1952    69.7301  162 954337.194      40.860
+  15   89   74  163 W    -a  -34908.439      58.426      7930.3043     0.3584  B-  -8906.1859    61.2953  162 962524.251      62.722
+  13   88   75  163 Re   +a  -26002.253      18.534      7870.8655     0.1137  B-  -9666#       301#      162 972085.434      19.897
+  11   87   76  163 Os   -a  -16336#        300#         7807#         2#      B- -11026#       500#      162 982462#        322#
+   9   86   77  163 Ir    x   -5310#        400#         7734#         2#      B-      *                  162 994299#        429#
+0 42  103   61  164 Pm    x  -38360#        400#         8014#         2#      B-   9565#       400#      163 958819#        429#
+  40  102   62  164 Sm    x  -47925.314       4.099      8067.7803     0.0250  B-   5306.8315     4.5907  163 948550.061       4.400
+  38  101   63  164 Eu       -53232.146       2.068      8095.3686     0.0126  B-   6461.5416     2.2969  163 942852.943       2.219
+  36  100   64  164 Gd       -59693.688       1.000      8129.9978     0.0061  B-   2411.2959     2.1143  163 935916.193       1.073
+  34   99   65  164 Tb    x  -62104.983       1.863      8139.9304     0.0114  B-   3862.6653     1.9884  163 933327.561       2.000
+  32   98   66  164 Dy       -65967.649       0.695      8158.7129     0.0042  B-   -987.1315     1.3710  163 929180.819       0.746
+  30   97   67  164 Ho       -64980.517       1.390      8147.9234     0.0085  B-    962.0559     1.3756  163 930240.548       1.492
+  28   96   68  164 Er       -65942.573       0.704      8149.0191     0.0043  B-  -4033.6302    25.0113  163 929207.739       0.755
+  26   95   69  164 Tm       -61908.943      25.006      8119.6534     0.1525  B-   -896.7722    29.2135  163 933538.019      26.845
+  24   94   70  164 Yb    x  -61012.171      15.106      8109.4149     0.0921  B-  -6369.7952    31.7666  163 934500.743      16.217
+  22   93   71  164 Lu    x  -54642.376      27.945      8065.8043     0.1704  B-  -2824.0194    32.1083  163 941339.000      30.000
+  20   92   72  164 Hf       -51818.356      15.812      8043.8142     0.0964  B-  -8535.5511    32.1083  163 944370.709      16.975
+  18   91   73  164 Ta    x  -43282.805      27.945      7986.9978     0.1704  B-  -5047.2500    29.5717  163 953534.000      30.000
+  16   90   74  164 W        -38235.555       9.673      7951.4515     0.0590  B- -10763.1138    55.4055  163 958952.445      10.384
+  14   89   75  164 Re   -a  -27472.441      54.555      7881.0523     0.3326  B-  -7047.7180   140.0330  163 970507.122      58.566
+  12   88   76  164 Os       -20424.723     149.903      7833.3080     0.9140  B- -12941#       350#      163 978073.158     160.927
+  10   87   77  164 Ir   -a   -7483#        316#         7750#         2#      B-      *                  163 991966#        339#
+0 43  104   61  165 Pm    x  -34670#        500#         7992#         3#      B-   8840#       640#      164 962780#        537#
+  41  103   62  165 Sm    x  -43510#        400#         8041#         2#      B-   7219#       400#      164 953290#        429#
+  39  102   63  165 Eu       -50729.103       5.213      8080.0529     0.0316  B-   5796.6788     5.3733  164 945540.070       5.596
+  37  101   64  165 Gd       -56525.782       1.304      8110.4428     0.0079  B-   4063.0674     2.0189  164 939317.080       1.400
+  35  100   65  165 Tb       -60588.849       1.541      8130.3259     0.0093  B-   3023.4392     1.6915  164 934955.198       1.654
+  33   99   66  165 Dy   -n  -63612.289       0.697      8143.9083     0.0042  B-   1285.7287     0.7502  164 931709.402       0.748
+  31   98   67  165 Ho       -64898.017       0.786      8146.9591     0.0048  B-   -376.6648     0.9575  164 930329.116       0.844
+  29   97   68  165 Er       -64521.353       0.918      8139.9348     0.0056  B-  -1591.3282     1.4891  164 930733.482       0.985
+  27   96   69  165 Tm       -62930.024       1.658      8125.5489     0.0101  B-  -2634.6364    26.5907  164 932441.843       1.779
+  25   95   70  165 Yb       -60295.388      26.539      8104.8399     0.1608  B-  -3853.1403    35.4324  164 935270.241      28.490
+  23   94   71  165 Lu       -56442.248      26.539      8076.7460     0.1608  B-  -4806.7350    38.5387  164 939406.758      28.490
+  21   93   72  165 Hf    x  -51635.513      27.945      8042.8728     0.1694  B-  -5787.6410    31.0668  164 944567.000      30.000
+  19   92   73  165 Ta       -45847.872      13.573      8003.0547     0.0823  B-  -6986.5555    29.1133  164 950780.287      14.571
+  17   91   74  165 W        -38861.316      25.756      7955.9704     0.1561  B-  -8201.9627    34.9116  164 958280.663      27.649
+  15   90   75  165 Re   +a  -30659.353      23.593      7901.5201     0.1430  B-  -8913#       202#      164 967085.831      25.328
+  13   89   76  165 Os   -a  -21747#        200#         7843#         1#      B- -10151#       255#      164 976654#        215#
+  11   88   77  165 Ir   IT  -11595#        158#         7776#         1#      B- -11277#       430#      164 987552#        170#
+   9   87   78  165 Pt   -a    -318#        400#         7703#         2#      B-      *                  164 999658#        429#
+0 42  104   62  166 Sm    x  -40450#        400#         8023#         2#      B-   6299#       412#      165 956575#        429#
+  40  103   63  166 Eu    +  -46749#        100#         8056#         1#      B-   7622#       100#      165 949813#        107#
+  38  102   64  166 Gd    x  -54370.926       1.584      8097.2260     0.0095  B-   3437.8515     2.1558  165 941630.413       1.700
+  36  101   65  166 Tb       -57808.778       1.463      8113.2230     0.0088  B-   4775.6930     1.6690  165 937939.727       1.570
+  34  100   66  166 Dy   -n  -62584.471       0.804      8137.2793     0.0048  B-    485.8684     0.8502  165 932812.810       0.862
+  32   99   67  166 Ho       -63070.339       0.786      8135.4933     0.0047  B-   1853.8057     0.7792  165 932291.209       0.844
+  30   98   68  166 Er       -64924.145       0.334      8141.9479     0.0020  B-  -3037.6667    11.5470  165 930301.067       0.358
+  28   97   69  166 Tm    -  -61886.478      11.552      8118.9357     0.0696  B-   -292.7714    13.5069  165 933562.136      12.401
+  26   96   70  166 Yb  +nn  -61593.706       7.001      8112.4591     0.0422  B-  -5572.7197    30.6189  165 933876.439       7.515
+  24   95   71  166 Lu    x  -56020.987      29.808      8074.1756     0.1796  B-  -2161.9978    40.8585  165 939859.000      32.000
+  22   94   72  166 Hf    x  -53858.989      27.945      8056.4386     0.1683  B-  -7761.2089    39.5199  165 942180.000      30.000
+  20   93   73  166 Ta    x  -46097.780      27.945      8004.9714     0.1683  B-  -4210.3092    29.5036  165 950512.000      30.000
+  18   92   74  166 W        -41887.471       9.463      7974.8951     0.0570  B- -10050.1358    88.7072  165 955031.952      10.159
+  16   91   75  166 Re   -a  -31837.335      88.242      7909.6392     0.5316  B-  -6405.8090    88.3046  165 965821.216      94.731
+  14   90   76  166 Os       -25431.526      17.966      7866.3371     0.1082  B- -12126#       201#      165 972698.135      19.287
+  12   89   77  166 Ir   -p  -13306#        201#         7789#         1#      B-  -8523#       361#      165 985716#        215#
+  10   88   78  166 Pt   -a   -4783#        300#         7733#         2#      B-      *                  165 994866#        322#
+0 43  105   62  167 Sm    x  -35330#        500#         7992#         3#      B-   8440#       640#      166 962072#        537#
+  41  104   63  167 Eu    x  -43770#        400#         8038#         2#      B-   7006#       400#      166 953011#        429#
+  39  103   64  167 Gd       -50775.732       5.213      8075.5428     0.0312  B-   5107.3505     5.5584  166 945490.012       5.596
+  37  102   65  167 Tb       -55883.082       1.929      8101.4410     0.0116  B-   4028.3686     4.4459  166 940007.046       2.071
+  35  101   66  167 Dy    x  -59911.451       4.005      8120.8782     0.0240  B-   2368.0076     6.5549  166 935682.415       4.300
+  33  100   67  167 Ho  p2n  -62279.459       5.189      8130.3732     0.0311  B-   1009.7971     5.1890  166 933140.254       5.570
+  31   99   68  167 Er       -63289.256       0.286      8131.7352     0.0017  B-   -746.1392     1.2633  166 932056.192       0.306
+  29   98   69  167 Tm       -62543.117       1.258      8122.5826     0.0075  B-  -1953.2162     3.7968  166 932857.206       1.350
+  27   97   70  167 Yb       -60589.900       3.960      8106.2020     0.0237  B-  -3063.6190    37.4696  166 934954.069       4.251
+  25   96   71  167 Lu    x  -57526.281      37.260      8083.1722     0.2231  B-  -4058.5198    46.5747  166 938243.000      40.000
+  23   95   72  167 Hf    x  -53467.761      27.945      8054.1850     0.1673  B-  -5116.6971    39.5199  166 942600.000      30.000
+  21   94   73  167 Ta    x  -48351.064      27.945      8018.8614     0.1673  B-  -6257.8523    33.6262  166 948093.000      30.000
+  19   93   74  167 W        -42093.212      18.703      7976.7045     0.1120  B-  -7259#        44#      166 954811.080      20.078
+  17   92   75  167 Re   +a  -34834#         40#         7929#         0#      B-  -8335#        90#      166 962604#         43#
+  15   91   76  167 Os   -a  -26498.860      80.892      7873.9557     0.4844  B-  -9426.4121    82.9464  166 971552.304      86.841
+  13   90   77  167 Ir       -17072.448      18.346      7812.8254     0.1099  B- -10319#       307#      166 981671.973      19.694
+  11   89   78  167 Pt   -a   -6753#        306#         7746#         2#      B-      *                  166 992750#        329#
+0 44  106   62  168 Sm    x  -31640#        300#         7971#         2#      B-   7610#       500#      167 966033#        322#
+  42  105   63  168 Eu    x  -39250#        400#         8012#         2#      B-   8899#       500#      167 957863#        429#
+  40  104   64  168 Gd    x  -48150#        300#         8060#         2#      B-   4631#       300#      167 948309#        322#
+  38  103   65  168 Tb    x  -52781.181       4.192      8082.7980     0.0250  B-   5777.2167   140.0696  167 943337.074       4.500
+  36  102   66  168 Dy  +pp  -58558.398     140.007      8112.5293     0.8334  B-   1500.8333   143.1849  167 937134.977     150.303
+  34  101   67  168 Ho    +  -60059.231      30.001      8116.8061     0.1786  B-   2930.0000    30.0000  167 935523.766      32.207
+  32  100   68  168 Er       -62989.231       0.262      8129.5897     0.0016  B-  -1676.8526     1.6858  167 932378.282       0.280
+  30   99   69  168 Tm       -61312.379       1.677      8114.9516     0.0100  B-    267.4880     1.6782  167 934178.457       1.800
+  28   98   70  168 Yb       -61579.867       0.093      8111.8870     0.0006  B-  -4507.0351    37.9735  167 933891.297       0.100
+  26   97   71  168 Lu       -57072.832      37.973      8080.4026     0.2260  B-  -1712.2740    47.1476  167 938729.798      40.766
+  24   96   72  168 Hf    x  -55360.557      27.945      8065.5536     0.1663  B-  -6966.6444    39.5199  167 940568.000      30.000
+  22   95   73  168 Ta    x  -48393.913      27.945      8019.4287     0.1663  B-  -3500.9828    30.9307  167 948047.000      30.000
+  20   94   74  168 W        -44892.930      13.259      7993.9327     0.0789  B-  -9098.0411    33.5515  167 951805.459      14.233
+  18   93   75  168 Re   -a  -35794.889      30.821      7935.1208     0.1835  B-  -5799.8944    32.3727  167 961572.607      33.087
+  16   92   76  168 Os       -29994.995       9.903      7895.9408     0.0589  B- -11328.7644    56.0975  167 967799.050      10.631
+  14   91   77  168 Ir   -a  -18666.230      55.216      7823.8509     0.3287  B-  -7656.1526   140.3258  167 979960.978      59.277
+  12   90   78  168 Pt   -a  -11010.078     149.934      7773.6217     0.8925  B- -13540#       427#      167 988180.196     160.960
+  10   89   79  168 Au    x    2530#        400#         7688#         2#      B-      *                  168 002716#        429#
+0 43  106   63  169 Eu    x  -35660#        500#         7991#         3#      B-   8230#       640#      168 961717#        537#
+  41  105   64  169 Gd    x  -43890#        400#         8035#         2#      B-   6590#       500#      168 952882#        429#
+  39  104   65  169 Tb    x  -50480#        300#         8069#         2#      B-   5116#       425#      168 945807#        322#
+  37  103   66  169 Dy    +  -55596.010     300.669      8094.7566     1.7791  B-   3200.0000   300.0000  168 940315.231     322.781
+  35  102   67  169 Ho   +p  -58796.010      20.048      8109.0622     0.1186  B-   2125.1534    20.0483  168 936879.890      21.522
+  33  101   68  169 Er   -n  -60921.163       0.304      8117.0078     0.0018  B-    353.4910     0.7729  168 934598.444       0.326
+  31  100   69  169 Tm       -61274.654       0.738      8114.4702     0.0044  B-   -899.1270     0.7563  168 934218.956       0.792
+  29   99   70  169 Yb   -n  -60375.527       0.178      8104.5206     0.0011  B-  -2293.0000     3.0000  168 935184.208       0.191
+  27   98   71  169 Lu    -  -58082.527       3.005      8086.3233     0.0178  B-  -3365.6321    28.1060  168 937645.845       3.226
+  25   97   72  169 Hf    x  -54716.895      27.945      8061.7791     0.1654  B-  -4426.4600    39.5199  168 941259.000      30.000
+  23   96   73  169 Ta    x  -50290.435      27.945      8030.9577     0.1654  B-  -5372.5686    31.9246  168 946011.000      30.000
+  21   95   74  169 W        -44917.866      15.436      7994.5381     0.0913  B-  -6508.6195    19.1703  168 951778.689      16.571
+  19   94   75  169 Re   +a  -38409.247      11.369      7951.3963     0.0673  B-  -7686.2626    28.3218  168 958765.979      12.204
+  17   93   76  169 Os   -a  -30722.984      25.940      7901.2862     0.1535  B-  -8629.5684    34.8557  168 967017.521      27.847
+  15   92   77  169 Ir   +a  -22093.416      23.307      7845.5944     0.1379  B-  -9629#       202#      168 976281.743      25.020
+  13   91   78  169 Pt   -a  -12464#        200#         7784#         1#      B- -10676#       359#      168 986619#        215#
+  11   90   79  169 Au    x   -1788#        298#         7716#         2#      B-      *                  168 998080#        320#
+0 44  107   63  170 Eu    x  -30860#        500#         7963#         3#      B-   9989#       707#      169 966870#        537#
+  42  106   64  170 Gd    x  -40850#        500#         8017#         3#      B-   5860#       583#      169 956146#        537#
+  40  105   65  170 Tb    x  -46710#        300#         8047#         2#      B-   7000#       361#      169 949855#        322#
+  38  104   66  170 Dy    x  -53710#        200#         8084#         1#      B-   2528#       206#      169 942340#        215#
+  36  103   67  170 Ho    +  -56237.514      50.019      8093.7902     0.2942  B-   3870.0000    50.0000  169 939626.548      53.697
+  34  102   68  170 Er       -60107.514       1.387      8111.9529     0.0082  B-   -312.1997     1.7852  169 935471.933       1.488
+  32  101   69  170 Tm       -59795.314       0.732      8105.5144     0.0043  B-    968.6148     0.7319  169 935807.093       0.785
+  30  100   70  170 Yb       -60763.929       0.010      8106.6101     0.0003  B-  -3457.6950    16.8430  169 934767.242       0.011
+  28   99   71  170 Lu    -  -57306.234      16.843      8081.6686     0.0991  B-  -1052.3734    32.6282  169 938479.230      18.081
+  26   98   72  170 Hf    x  -56253.860      27.945      8070.8762     0.1644  B-  -6116.1903    39.5199  169 939609.000      30.000
+  24   97   73  170 Ta    x  -50137.670      27.945      8030.2965     0.1644  B-  -2846.8656    30.9035  169 946175.000      30.000
+  22   96   74  170 W        -47290.804      13.195      8008.9482     0.0776  B-  -8386.8083    17.4557  169 949231.235      14.165
+  20   95   75  170 Re       -38903.996      11.427      7955.0120     0.0672  B-  -4978.3046    15.0274  169 958234.844      12.267
+  18   94   76  170 Os       -33925.692       9.759      7921.1258     0.0574  B- -10743#       102#      169 963579.273      10.476
+  16   93   77  170 Ir   -a  -23182#        101#         7853#         1#      B-  -6883#       102#      169 975113#        109#
+  14   92   78  170 Pt       -16299.202      18.246      7808.2365     0.1073  B- -12596#       202#      169 982502.087      19.588
+  12   91   79  170 Au   -p   -3703#        201#         7730#         1#      B-  -9119#       362#      169 996024#        216#
+  10   90   80  170 Hg   -a    5415#        302#         7671#         2#      B-      *                  170 005814#        324#
+0 43  107   64  171 Gd    x  -36210#        500#         7990#         3#      B-   7560#       640#      170 961127#        537#
+  41  106   65  171 Tb    x  -43770#        400#         8030#         2#      B-   6240#       447#      170 953011#        429#
+  39  105   66  171 Dy    x  -50010#        200#         8062#         1#      B-   4508#       633#      170 946312#        215#
+  37  104   67  171 Ho    +  -54517.822     600.002      8083.6021     3.5088  B-   3200.0000   600.0000  170 941472.713     644.128
+  35  103   68  171 Er       -57717.822       1.408      8097.7404     0.0082  B-   1492.4490     1.0788  170 938037.372       1.511
+  33  102   69  171 Tm       -59210.271       0.972      8101.8931     0.0057  B-     96.5468     0.9715  170 936435.162       1.043
+  31  101   70  171 Yb       -59306.818       0.013      8097.8826     0.0003  B-  -1478.3526     1.8621  170 936331.515       0.013
+  29  100   71  171 Lu       -57828.465       1.862      8084.6621     0.0109  B-  -2397.1144    28.9363  170 937918.591       1.999
+  27   99   72  171 Hf    x  -55431.351      28.876      8066.0687     0.1689  B-  -3711.0725    40.1840  170 940492.000      31.000
+  25   98   73  171 Ta    x  -51720.279      27.945      8039.7914     0.1634  B-  -4634.1832    39.5199  170 944476.000      30.000
+  23   97   74  171 W     x  -47086.095      27.945      8008.1158     0.1634  B-  -5835.8106    39.5199  170 949451.000      30.000
+  21   96   75  171 Re    x  -41250.285      27.945      7969.4131     0.1634  B-  -6953.0469    33.3748  170 955716.000      30.000
+  19   95   76  171 Os       -34297.238      18.247      7924.1769     0.1067  B-  -7885.2079    42.5749  170 963180.402      19.589
+  17   94   77  171 Ir   -a  -26412.030      38.466      7873.4895     0.2249  B-  -8945.4613    89.6251  170 971645.520      41.295
+  15   93   78  171 Pt   -a  -17466.569      80.951      7816.6017     0.4734  B-  -9904.2655    83.5586  170 981248.868      86.904
+  13   92   79  171 Au   -p   -7562.303      20.713      7754.1069     0.1211  B- -10901#       307#      170 991881.533      22.236
+  11   91   80  171 Hg   -a    3339#        307#         7686#         2#      B-      *                  171 003585#        329#
+0 44  108   64  172 Gd    x  -32970#        300#         7972#         2#      B-   6720#       583#      171 964605#        322#
+  42  107   65  172 Tb    x  -39690#        500#         8006#         3#      B-   8070#       583#      171 957391#        537#
+  40  106   66  172 Dy    x  -47760#        300#         8049#         2#      B-   3724#       358#      171 948728#        322#
+  38  105   67  172 Ho    x  -51484#        196#         8066#         1#      B-   4999#       196#      171 944730#        210#
+  36  104   68  172 Er       -56482.578       3.962      8090.4052     0.0230  B-    890.9756     4.5418  171 939363.461       4.253
+  34  103   69  172 Tm       -57373.554       5.481      8091.0367     0.0319  B-   1881.9024     5.4814  171 938406.959       5.884
+  32  102   70  172 Yb       -59255.456       0.014      8097.4295     0.0003  B-  -2519.3805     2.3360  171 936386.654       0.014
+  30  101   71  172 Lu       -56736.076       2.336      8078.2334     0.0136  B-   -333.8443    24.5396  171 939091.320       2.507
+  28  100   72  172 Hf    x  -56402.232      24.428      8071.7439     0.1420  B-  -5072.2490    37.1167  171 939449.716      26.224
+  26   99   73  172 Ta    x  -51329.983      27.945      8037.7056     0.1625  B-  -2232.7914    39.5199  171 944895.000      30.000
+  24   98   74  172 W     x  -49097.191      27.945      8020.1757     0.1625  B-  -7530.3525    45.2323  171 947292.000      30.000
+  22   97   75  172 Re       -41566.839      35.568      7971.8460     0.2068  B-  -4323.1979    37.7890  171 955376.165      38.183
+  20   96   76  172 Os       -37243.641      12.766      7942.1626     0.0742  B-  -9864.2673    34.8263  171 960017.309      13.704
+  18   95   77  172 Ir   -a  -27379.373      32.402      7880.2637     0.1884  B-  -6272.7035    34.0232  171 970607.035      34.785
+  16   94   78  172 Pt       -21106.670      10.376      7839.2460     0.0603  B- -11788.6592    57.1082  171 977341.059      11.139
+  14   93   79  172 Au   -a   -9318.011      56.158      7766.1587     0.3265  B-  -8256.6495   140.8350  171 989996.704      60.287
+  12   92   80  172 Hg   -a   -1061.361     150.062      7713.6064     0.8725  B-      *                  171 998860.581     161.098
+0 43  108   65  173 Tb    x  -36510#        500#         7988#         3#      B-   7230#       640#      172 960805#        537#
+  41  107   66  173 Dy    x  -43740#        400#         8026#         2#      B-   5610#       499#      172 953043#        429#
+  39  106   67  173 Ho    x  -49351#        298#         8054#         2#      B-   4304#       357#      172 947020#        320#
+  37  105   68  173 Er    x  -53654#        196#         8074#         1#      B-   2602#       196#      172 942400#        210#
+  35  104   69  173 Tm  p2n  -56256.067       4.400      8084.4633     0.0254  B-   1295.1669     4.4000  172 939606.630       4.723
+  33  103   70  173 Yb       -57551.234       0.011      8087.4276     0.0003  B-   -670.2201     1.5674  172 938216.211       0.012
+  31  102   71  173 Lu       -56881.014       1.567      8079.0312     0.0091  B-  -1469.2244    27.9887  172 938935.722       1.682
+  29  101   72  173 Hf    x  -55411.790      27.945      8066.0164     0.1615  B-  -3015.2464    39.5199  172 940513.000      30.000
+  27  100   73  173 Ta    x  -52396.543      27.945      8044.0650     0.1615  B-  -3669.1553    39.5199  172 943750.000      30.000
+  25   99   74  173 W     x  -48727.388      27.945      8018.3337     0.1615  B-  -5173.5182    39.5199  172 947689.000      30.000
+  23   98   75  173 Re    x  -43553.870      27.945      7983.9068     0.1615  B-  -6115.6196    31.6968  172 953243.000      30.000
+  21   97   76  173 Os       -37438.250      14.959      7944.0341     0.0865  B-  -7169.7944    18.2998  172 959808.387      16.059
+  19   96   77  173 Ir       -30268.456      10.542      7898.0680     0.0609  B-  -8331.6974    64.3014  172 967505.477      11.316
+  17   95   78  173 Pt   -a  -21936.758      63.431      7845.3856     0.3667  B-  -9104.7415    67.3903  172 976449.922      68.096
+  15   94   79  173 Au   +a  -12832.017      22.783      7788.2348     0.1317  B- -10171#       202#      172 986224.263      24.458
+  13   93   80  173 Hg   -a   -2661#        201#         7725#         1#      B-      *                  172 997143#        215#
+0 44  109   65  174 Tb    x  -31970#        500#         7963#         3#      B-   9160#       707#      173 965679#        537#
+  42  108   66  174 Dy    x  -41130#        500#         8011#         3#      B-   4739#       583#      173 955845#        537#
+  40  107   67  174 Ho    x  -45870#        300#         8034#         2#      B-   6080#       423#      173 950757#        322#
+  38  106   68  174 Er    x  -51949#        298#         8064#         2#      B-   1915#       301#      173 944230#        320#
+  36  105   69  174 Tm    +  -53864.521      44.721      8070.6432     0.2570  B-   3080.0000    44.7214  173 942174.061      48.010
+  34  104   70  174 Yb       -56944.521       0.011      8083.8481     0.0003  B-  -1374.2287     1.5675  173 938867.545       0.011
+  32  103   71  174 Lu       -55570.292       1.567      8071.4540     0.0090  B-    274.2911     2.1686  173 940342.840       1.682
+  30  102   72  174 Hf       -55844.583       2.259      8068.5341     0.0130  B-  -4103.8117    28.0360  173 940048.377       2.425
+  28  101   73  174 Ta    x  -51740.771      27.945      8040.4528     0.1606  B-  -1513.6779    39.5199  173 944454.000      30.000
+  26  100   74  174 W     x  -50227.093      27.945      8027.2572     0.1606  B-  -6553.9925    39.5199  173 946079.000      30.000
+  24   99   75  174 Re    x  -43673.101      27.945      7985.0944     0.1606  B-  -3677.7177    29.7667  173 953115.000      30.000
+  22   98   76  174 Os       -39995.383      10.254      7959.4618     0.0589  B-  -9209.4466    15.2008  173 957063.192      11.008
+  20   97   77  174 Ir   +a  -30785.937      11.221      7902.0377     0.0645  B-  -5468.3293    15.2578  173 966949.939      12.046
+  18   96   78  174 Pt   -a  -25317.608      10.338      7866.1143     0.0594  B- -11259#       102#      173 972820.431      11.098
+  16   95   79  174 Au   -a  -14058#        102#         7797#         1#      B-  -7417#       102#      173 984908#        109#
+  14   94   80  174 Hg   -a   -6641.017      19.211      7749.7851     0.1104  B-      *                  173 992870.575      20.623
+0 43  109   66  175 Dy    x  -36730#        500#         7986#         3#      B-   6570#       640#      174 960569#        537#
+  41  108   67  175 Ho    x  -43300#        400#         8019#         2#      B-   5352#       566#      174 953516#        429#
+  39  107   68  175 Er    x  -48652#        401#         8045#         2#      B-   3659#       404#      174 947770#        430#
+  37  106   69  175 Tm    +  -52310.556      50.000      8061.7673     0.2857  B-   2385.0000    50.0000  174 943842.310      53.677
+  35  105   70  175 Yb       -54695.556       0.071      8070.9253     0.0005  B-    470.1219     1.2068  174 941281.907       0.076
+  33  104   71  175 Lu       -55165.678       1.207      8069.1412     0.0069  B-   -683.9154     1.9516  174 940777.211       1.295
+  31  103   72  175 Hf       -54481.763       2.283      8060.7625     0.0130  B-  -2073.1103    28.0379  174 941511.424       2.450
+  29  102   73  175 Ta    x  -52408.653      27.945      8044.4456     0.1597  B-  -2775.8524    39.5199  174 943737.000      30.000
+  27  101   74  175 W     x  -49632.800      27.945      8024.1130     0.1597  B-  -4344.4885    39.5199  174 946717.000      30.000
+  25  100   75  175 Re    x  -45288.312      27.945      7994.8168     0.1597  B-  -5182.9513    30.3243  174 951381.000      30.000
+  23   99   76  175 Os       -40105.360      11.775      7960.7294     0.0673  B-  -6710.8496    17.0887  174 956945.126      12.640
+  21   98   77  175 Ir       -33394.511      12.384      7917.9112     0.0708  B-  -7685.8265    22.3572  174 964149.519      13.295
+  19   97   78  175 Pt       -25708.684      18.614      7869.5216     0.1064  B-  -8304.9980    42.8203  174 972400.593      19.982
+  17   96   79  175 Au   -a  -17403.686      38.563      7817.5939     0.2204  B-  -9434.2436    89.7876  174 981316.375      41.399
+  15   95   80  175 Hg   -a   -7969.443      81.085      7759.2134     0.4633  B-      *                  174 991444.451      87.047
+0 44  110   66  176 Dy    x  -33610#        500#         7969#         3#      B-   5780#       707#      175 963918#        537#
+  42  109   67  176 Ho    x  -39390#        500#         7997#         3#      B-   7241#       641#      175 957713#        537#
+  40  108   68  176 Er    x  -46631#        401#         8034#         2#      B-   2741#       413#      175 949940#        430#
+  38  107   69  176 Tm    +  -49371.322     100.000      8045.1214     0.5682  B-   4120.0000   100.0000  175 946997.707     107.354
+  36  106   70  176 Yb       -53491.322       0.014      8064.0853     0.0003  B-   -108.9895     1.2124  175 942574.706       0.015
+  34  105   71  176 Lu       -53382.333       1.212      8059.0209     0.0069  B-   1194.0947     0.8744  175 942691.711       1.301
+  32  104   72  176 Hf       -54576.428       1.482      8061.3604     0.0084  B-  -3211.0484    30.7750  175 941409.797       1.591
+  30  103   73  176 Ta    x  -51365.379      30.739      8038.6706     0.1747  B-   -723.7709    41.5430  175 944857.000      33.000
+  28  102   74  176 W     x  -50641.608      27.945      8030.1131     0.1588  B-  -5578.7182    39.5199  175 945634.000      30.000
+  26  101   75  176 Re    x  -45062.890      27.945      7993.9707     0.1588  B-  -2931.7058    30.0134  175 951623.000      30.000
+  24  100   76  176 Os       -42131.184      10.949      7972.8681     0.0622  B-  -8249.2618    13.6110  175 954770.315      11.754
+  22   99   77  176 Ir       -33881.923       8.085      7921.5522     0.0459  B-  -4948.0041    15.0657  175 963626.261       8.679
+  20   98   78  176 Pt       -28933.918      12.712      7888.9934     0.0722  B- -10412.9516    35.5363  175 968938.162      13.647
+  18   97   79  176 Au   -a  -18520.967      33.185      7825.3837     0.1885  B-  -6736.3283    34.9978  175 980116.925      35.625
+  16   96   80  176 Hg       -11784.639      11.118      7782.6640     0.0632  B- -12369.3668    83.7993  175 987348.670      11.936
+  14   95   81  176 Tl   -p     584.728      83.058      7707.9383     0.4719  B-      *                  176 000627.731      89.166
+0 43  110   67  177 Ho    x  -36280#        500#         7980#         3#      B-   6578#       709#      176 961052#        537#
+  41  109   68  177 Er    x  -42858#        503#         8013#         3#      B-   4711#       541#      176 953990#        540#
+  39  108   69  177 Tm    x  -47570#        200#         8035#         1#      B-   3417#       200#      176 948932#        215#
+  37  107   70  177 Yb   -n  -50986.404       0.220      8049.9741     0.0013  B-   1397.4983     1.2406  176 945263.846       0.236
+  35  106   71  177 Lu       -52383.903       1.221      8053.4495     0.0069  B-    496.8425     0.7921  176 943763.570       1.310
+  33  105   72  177 Hf       -52880.745       1.410      8051.8365     0.0080  B-  -1166.0000     3.0000  176 943230.187       1.514
+  31  104   73  177 Ta    -  -51714.745       3.315      8040.8289     0.0187  B-  -2013.0144    28.1408  176 944481.940       3.558
+  29  103   74  177 W     x  -49701.731      27.945      8025.0359     0.1579  B-  -3432.5558    39.5199  176 946643.000      30.000
+  27  102   75  177 Re    x  -46269.175      27.945      8001.2229     0.1579  B-  -4312.7271    31.5349  176 950328.000      30.000
+  25  101   76  177 Os   +a  -41956.448      14.613      7972.4371     0.0826  B-  -5909.0234    24.5763  176 954957.902      15.687
+  23  100   77  177 Ir    x  -36047.425      19.760      7934.6328     0.1116  B-  -6676.9880    24.8010  176 961301.500      21.213
+  21   99   78  177 Pt       -29370.437      14.988      7892.4896     0.0847  B-  -7824.7003    17.9991  176 968469.541      16.090
+  19   98   79  177 Au       -21545.736       9.968      7843.8623     0.0563  B-  -8769.9135    85.3061  176 976869.701      10.700
+  17   97   80  177 Hg   -a  -12775.823      84.722      7789.8947     0.4787  B-  -9435.7198    87.4322  176 986284.590      90.952
+  15   96   81  177 Tl   IT   -3340.103      21.628      7732.1655     0.1222  B-      *                  176 996414.252      23.218
+0 44  111   67  178 Ho    x  -32130#        500#         7957#         3#      B-   8130#       778#      177 965507#        537#
+  42  110   68  178 Er    x  -40260#        596#         7999#         3#      B-   3980#       667#      177 956779#        640#
+  40  109   69  178 Tm    x  -44240#        300#         8017#         2#      B-   5437#       300#      177 952506#        322#
+  38  108   70  178 Yb       -49677.139       6.588      8042.7386     0.0370  B-    660.7415     6.9617  177 946669.400       7.072
+  36  107   71  178 Lu       -50337.881       2.251      8042.0554     0.0127  B-   2097.4851     2.0569  177 945960.065       2.416
+  34  106   72  178 Hf       -52435.366       1.415      8049.4438     0.0080  B-  -1837#        52#      177 943708.322       1.519
+  32  105   73  178 Ta   IT  -50598#         52#         8035#         0#      B-   -191#        50#      177 945680#         56#
+  30  104   74  178 W     -  -50407.066      15.199      8029.2584     0.0854  B-  -4753.6082    31.8106  177 945885.791      16.316
+  28  103   75  178 Re    x  -45653.457      27.945      7998.1576     0.1570  B-  -2109.2143    31.0925  177 950989.000      30.000
+  26  102   76  178 Os       -43544.243      13.632      7981.9128     0.0766  B-  -7289.9295    23.2390  177 953253.334      14.634
+  24  101   77  178 Ir       -36254.314      18.821      7936.5630     0.1057  B-  -4256.8282    21.3752  177 961079.395      20.204
+  22  100   78  178 Pt       -31997.486      10.133      7908.2530     0.0569  B-  -9694.4567    14.4108  177 965649.288      10.878
+  20   99   79  178 Au    x  -22303.029      10.246      7849.3946     0.0576  B-  -5987.6832    14.8566  177 976056.714      11.000
+  18   98   80  178 Hg   -a  -16315.346      10.758      7811.3607     0.0604  B- -11702#       103#      177 982484.756      11.548
+  16   97   81  178 Tl   -a   -4613#        102#         7741#         1#      B-  -8187#       103#      177 995047#        110#
+  14   96   82  178 Pb   -a    3573.371      23.184      7690.8359     0.1302  B-      *                  178 003836.171      24.889
+0 43  111   68  179 Er    x  -36080#        500#         7976#         3#      B-   5821#       640#      178 961267#        537#
+  41  110   69  179 Tm    x  -41900#        400#         8004#         2#      B-   4739#       447#      178 955018#        429#
+  39  109   70  179 Yb    x  -46640#        200#         8026#         1#      B-   2419#       200#      178 949930#        215#
+  37  108   71  179 Lu       -49059.013       5.150      8035.0744     0.0288  B-   1404.0231     5.0672  178 947332.985       5.528
+  35  107   72  179 Hf       -50463.036       1.416      8038.5474     0.0079  B-   -105.5801     0.4088  178 945825.705       1.520
+  33  106   73  179 Ta       -50357.456       1.466      8033.5869     0.0082  B-  -1062.2093    14.5197  178 945939.050       1.574
+  31  105   74  179 W        -49295.247      14.573      8023.2821     0.0814  B-  -2710.9347    26.8021  178 947079.378      15.644
+  29  104   75  179 Re       -46584.312      24.639      8003.7666     0.1376  B-  -3564.1747    29.1116  178 949989.686      26.450
+  27  103   76  179 Os       -43020.137      15.505      7979.4844     0.0866  B-  -4938.4182    18.3271  178 953815.985      16.645
+  25  102   77  179 Ir       -38081.719       9.771      7947.5248     0.0546  B-  -5813.5920    12.6133  178 959117.594      10.489
+  23  101   78  179 Pt       -32268.127       7.977      7910.6759     0.0446  B-  -7279.5556    14.1567  178 965358.742       8.563
+  21  100   79  179 Au       -24988.572      11.696      7865.6374     0.0653  B-  -8055.6480    30.4559  178 973173.666      12.555
+  19   99   80  179 Hg       -16932.924      28.121      7816.2631     0.1571  B-  -8663.2918    47.7998  178 981821.759      30.188
+  17   98   81  179 Tl   -a   -8269.632      38.653      7763.4942     0.2159  B- -10321.2401    89.9571  178 991122.185      41.495
+  15   97   82  179 Pb   -a    2051.608      81.229      7701.4630     0.4538  B-      *                  179 002202.492      87.203
+0 44  112   68  180 Er    x  -33180#        500#         7960#         3#      B-   4990#       640#      179 964380#        537#
+  42  111   69  180 Tm    x  -38170#        400#         7983#         2#      B-   6550#       500#      179 959023#        429#
+  40  110   70  180 Yb    x  -44720#        300#         8016#         2#      B-   1956#       308#      179 951991#        322#
+  38  109   71  180 Lu    +  -46676.476      70.725      8022.0394     0.3929  B-   3103.0000    70.7107  179 949890.744      75.926
+  36  108   72  180 Hf       -49779.476       1.421      8034.9319     0.0079  B-   -845.8453     2.3472  179 946559.537       1.525
+  34  107   73  180 Ta   +n  -48933.631       2.068      8025.8864     0.0115  B-    702.6122     2.3590  179 947467.589       2.219
+  32  106   74  180 W        -49636.243       1.439      8025.4434     0.0080  B-  -3798.8793    21.4404  179 946713.304       1.545
+  30  105   75  180 Re    x  -45837.364      21.392      7999.9922     0.1188  B-  -1481.1659    26.5482  179 950791.568      22.965
+  28  104   76  180 Os       -44356.198      15.722      7987.4171     0.0873  B-  -6378.6679    26.8021  179 952381.665      16.878
+  26  103   77  180 Ir    x  -37977.530      21.706      7947.6337     0.1206  B-  -3547.6546    23.9205  179 959229.446      23.302
+  24  102   78  180 Pt       -34429.875      10.051      7923.5781     0.0558  B-  -8804.2290    11.1207  179 963038.010      10.790
+  22  101   79  180 Au       -25625.646       4.759      7870.3194     0.0264  B-  -5375.1330    13.5105  179 972489.738       5.108
+  20  100   80  180 Hg       -20250.513      12.645      7836.1111     0.0702  B- -10860.0750    71.0509  179 978260.180      13.574
+  18   99   81  180 Tl   -a   -9390.438      69.917      7771.4310     0.3884  B-  -7449.3696    71.0069  179 989918.950      75.058
+  16   98   82  180 Pb   -a   -1941.069      12.395      7725.6993     0.0689  B-      *                  179 997916.177      13.306
+0 43  112   69  181 Tm    x  -35440#        500#         7969#         3#      B-   5649#       582#      180 961954#        537#
+  41  111   70  181 Yb    x  -41088#        298#         7996#         2#      B-   3709#       324#      180 955890#        320#
+  39  110   71  181 Lu    x  -44797.414     125.752      8011.9301     0.6948  B-   2605.5435   125.7598  180 951908.000     135.000
+  37  109   72  181 Hf   -n  -47402.958       1.423      8022.0030     0.0079  B-   1036.1061     1.9298  180 949110.834       1.527
+  35  108   73  181 Ta       -48439.064       1.576      8023.4050     0.0087  B-   -205.1193     1.9495  180 947998.528       1.692
+  33  107   74  181 W    -n  -48233.945       1.448      8017.9494     0.0080  B-  -1716.5331    12.6289  180 948218.733       1.554
+  31  106   75  181 Re   4n  -46517.412      12.549      8004.1434     0.0693  B-  -2967.4438    28.2755  180 950061.507      13.471
+  29  105   76  181 Os       -43549.968      25.338      7983.4263     0.1400  B-  -4086.9327    25.8756  180 953247.188      27.201
+  27  104   77  181 Ir   +a  -39463.035       5.245      7956.5242     0.0290  B-  -5081.5379    14.6597  180 957634.691       5.631
+  25  103   78  181 Pt       -34381.497      13.689      7924.1271     0.0756  B-  -6510.3575    24.2164  180 963089.946      14.695
+  23  102   79  181 Au   -a  -27871.140      19.976      7883.8359     0.1104  B-  -7210.0126    25.2123  180 970079.102      21.445
+  21  101   80  181 Hg       -20661.127      15.382      7839.6792     0.0850  B-  -7862.3780    17.8730  180 977819.368      16.513
+  19  100   81  181 Tl       -12798.749       9.102      7791.9183     0.0503  B-  -9688.1182    85.5227  180 986259.978       9.771
+  17   99   82  181 Pb   -a   -3110.631      85.037      7734.0704     0.4698  B-      *                  180 996660.600      91.290
+0 44  113   69  182 Tm    x  -31490#        500#         7948#         3#      B-   7410#       640#      181 966194#        537#
+  42  112   70  182 Yb    x  -38900#        400#         7984#         2#      B-   2870#       447#      181 958239#        429#
+  40  111   71  182 Lu    x  -41770#        200#         7996#         1#      B-   4280#       200#      181 955158#        215#
+  38  110   72  182 Hf  -nn  -46049.636       6.166      8014.8381     0.0339  B-    381.0486     6.3027  181 950563.684       6.619
+  36  109   73  182 Ta       -46430.685       1.578      8012.6332     0.0087  B-   1815.4592     1.5276  181 950154.612       1.693
+  34  108   74  182 W        -48246.144       0.745      8018.3096     0.0041  B-  -2800.0000   101.9804  181 948205.636       0.799
+  32  107   75  182 Re   IT  -45446.144     101.983      7998.6264     0.5603  B-   -837.0348   104.2757  181 951211.560     109.483
+  30  106   76  182 Os       -44609.109      21.745      7989.7287     0.1195  B-  -5557.4266    30.2074  181 952110.154      23.344
+  28  105   77  182 Ir       -39051.682      20.967      7954.8948     0.1152  B-  -2883.2620    24.7202  181 958076.296      22.509
+  26  104   78  182 Pt       -36168.420      13.095      7934.7541     0.0719  B-  -7864.4447    22.8812  181 961171.605      14.057
+  24  103   79  182 Au       -28303.976      18.764      7887.2442     0.1031  B-  -4727.0905    21.1645  181 969614.433      20.143
+  22  102   80  182 Hg       -23576.885       9.790      7856.9726     0.0538  B- -10249.6721    15.4687  181 974689.173      10.510
+  20  101   81  182 Tl   -a  -13327.213      11.976      7796.3571     0.0658  B-  -6502.6567    17.0151  181 985692.649      12.856
+  18  100   82  182 Pb   -a   -6824.556      12.086      7756.3296     0.0664  B-      *                  181 992673.537      12.975
+0 43  113   70  183 Yb    x  -35000#        400#         7963#         2#      B-   4716#       408#      182 962426#        429#
+  41  112   71  183 Lu    x  -39716.114      80.108      7984.8125     0.4378  B-   3567.4325    85.5564  182 957363.000      86.000
+  39  111   72  183 Hf    +  -43283.547      30.042      8000.0315     0.1642  B-   2010.0000    30.0000  182 953533.203      32.251
+  37  110   73  183 Ta   -n  -45293.547       1.590      8006.7400     0.0087  B-   1072.1161     1.5405  182 951375.380       1.707
+  35  109   74  183 W        -46365.663       0.743      8008.3234     0.0041  B-   -556.0000     8.0000  182 950224.416       0.798
+  33  108   75  183 Re    -  -45809.663       8.034      8001.0101     0.0439  B-  -2145.9028    50.4129  182 950821.306       8.625
+  31  107   76  183 Os       -43663.760      49.769      7985.0087     0.2720  B-  -3461.6215    52.8061  182 953125.028      53.428
+  29  106   77  183 Ir       -40202.138      24.672      7961.8176     0.1348  B-  -4428.9417    28.4743  182 956841.231      26.486
+  27  105   78  183 Pt       -35773.197      14.216      7933.3406     0.0777  B-  -5581.7092    17.0554  182 961595.895      15.261
+  25  104   79  183 Au       -30191.488       9.423      7898.5644     0.0515  B-  -6386.8322    11.7891  182 967588.106      10.116
+  23  103   80  183 Hg       -23804.655       7.084      7859.3885     0.0387  B-  -7217.3941    11.7158  182 974444.652       7.604
+  21  102   81  183 Tl       -16587.261       9.331      7815.6741     0.0510  B-  -9007.2534    30.4442  182 982192.843      10.017
+  19  101   82  183 Pb   -a   -7580.008      28.979      7762.1790     0.1584  B-      *                  182 991862.527      31.110
+0 44  114   70  184 Yb    x  -32600#        503#         7951#         3#      B-   3700#       541#      183 965002#        540#
+  42  113   71  184 Lu    x  -36300#        200#         7967#         1#      B-   5199#       204#      183 961030#        215#
+  40  112   72  184 Hf    +  -41499.453      39.706      7990.7228     0.2158  B-   1340.0000    30.0000  183 955448.507      42.625
+  38  111   73  184 Ta    +  -42839.453      26.010      7993.7535     0.1414  B-   2866.0000    26.0000  183 954009.958      27.923
+  36  110   74  184 W        -45705.453       0.738      8005.0777     0.0040  B-  -1485.6333     4.1971  183 950933.180       0.792
+  34  109   75  184 Re       -44219.819       4.276      7992.7517     0.0232  B-     32.7460     4.1387  183 952528.073       4.590
+  32  108   76  184 Os       -44252.565       0.829      7988.6778     0.0045  B-  -4641.7101    27.9571  183 952492.919       0.890
+  30  107   77  184 Ir    x  -39610.855      27.945      7959.1992     0.1519  B-  -2278.3688    31.5957  183 957476.000      30.000
+  28  106   78  184 Pt       -37332.486      14.744      7942.5649     0.0801  B-  -7013.7724    26.7122  183 959921.929      15.828
+  26  105   79  184 Au   -a  -30318.714      22.275      7900.1947     0.1211  B-  -3973.9269    24.2296  183 967451.523      23.912
+  24  104   80  184 Hg       -26344.787       9.535      7874.3454     0.0518  B-  -9461.4321    13.8254  183 971717.709      10.235
+  22  103   81  184 Tl       -16883.355      10.012      7818.6727     0.0544  B-  -5831.7688    16.2517  183 981874.973      10.747
+  20  102   82  184 Pb       -11051.586      12.802      7782.7264     0.0696  B- -12306#       123#      183 988135.634      13.743
+  18  101   83  184 Bi   -a    1254#        122#         7712#         1#      B-      *                  184 001347#        131#
+0 45  115   70  185 Yb    x  -28480#        500#         7929#         3#      B-   5480#       583#      184 969425#        537#
+  43  114   71  185 Lu    x  -33960#        300#         7955#         2#      B-   4359#       307#      184 963542#        322#
+  41  113   72  185 Hf    x  -38319.804      64.273      7973.9711     0.3474  B-   3074.5667    65.8147  184 958862.000      69.000
+  39  112   73  185 Ta    +  -41394.371      14.161      7986.3615     0.0765  B-   1993.5000    14.1421  184 955561.317      15.202
+  37  111   74  185 W        -43387.871       0.739      7992.9083     0.0040  B-    431.1764     0.6616  184 953421.206       0.793
+  35  110   75  185 Re       -43819.047       0.820      7991.0101     0.0044  B-  -1013.1393     0.4190  184 952958.320       0.879
+  33  109   76  185 Os       -42805.908       0.832      7981.3047     0.0045  B-  -2470.3505    27.9572  184 954045.969       0.893
+  31  108   77  185 Ir    x  -40335.558      27.945      7963.7226     0.1511  B-  -3647.4137    38.0554  184 956698.000      30.000
+  29  107   78  185 Pt       -36688.144      25.832      7939.7779     0.1396  B-  -4829.9942    25.9635  184 960613.659      27.731
+  27  106   79  185 Au    x  -31858.150       2.608      7909.4410     0.0141  B-  -5674.4989    13.8859  184 965798.871       2.800
+  25  105   80  185 Hg       -26183.651      13.639      7874.5391     0.0737  B-  -6425.9062    24.7674  184 971890.696      14.641
+  23  104   81  185 Tl   IT  -19757.745      20.674      7835.5756     0.1118  B-  -8216.5333    26.2493  184 978789.189      22.194
+  21  103   82  185 Pb   -a  -11541.211      16.175      7786.9330     0.0874  B-  -9305#        83#      184 987610.000      17.364
+  19  102   83  185 Bi   IT   -2236#         81#         7732#         0#      B-      *                  184 997600#         87#
+0 44  115   71  186 Lu    x  -30320#        400#         7936#         2#      B-   6104#       403#      185 967450#        429#
+  42  114   72  186 Hf    x  -36424.214      51.232      7964.3032     0.2754  B-   2183.3883    78.9063  185 960897.000      55.000
+  40  113   73  186 Ta    +  -38607.602      60.012      7971.8357     0.3226  B-   3901.0000    60.0000  185 958553.036      64.425
+  38  112   74  186 W        -42508.602       1.213      7988.6026     0.0065  B-   -581.2819     1.2386  185 954365.140       1.302
+  36  111   75  186 Re       -41927.320       0.820      7981.2713     0.0044  B-   1072.7114     0.8337  185 954989.172       0.880
+  34  110   76  186 Os       -43000.032       0.761      7982.8324     0.0041  B-  -3827.6813    16.5430  185 953837.569       0.816
+  32  109   77  186 Ir    x  -39172.350      16.526      7958.0473     0.0888  B-  -1307.9030    27.3122  185 957946.754      17.740
+  30  108   78  186 Pt       -37864.447      21.745      7946.8094     0.1169  B-  -6149.5913    30.2074  185 959350.845      23.344
+  28  107   79  186 Au       -31714.856      20.967      7909.5409     0.1127  B-  -3175.7972    23.9866  185 965952.703      22.509
+  26  106   80  186 Hg       -28539.059      11.650      7888.2605     0.0626  B-  -8656.1190    23.7974  185 969362.061      12.507
+  24  105   81  186 Tl       -19882.940      20.751      7837.5161     0.1116  B-  -5202.0427    23.4877  185 978654.787      22.276
+  22  104   82  186 Pb   -a  -14680.897      11.004      7805.3420     0.0592  B- -11535.3999    20.2118  185 984239.409      11.813
+  20  103   83  186 Bi   -a   -3145.497      16.954      7739.1175     0.0911  B-  -7247.0279    24.9305  185 996623.169      18.200
+  18  102   84  186 Po   -a    4101.531      18.278      7695.9488     0.0983  B-      *                  186 004403.174      19.622
+0 45  116   71  187 Lu    x  -27770#        400#         7923#         2#      B-   5230#       447#      186 970188#        429#
+  43  115   72  187 Hf    x  -33000#        200#         7947#         1#      B-   3896#       208#      186 964573#        215#
+  41  114   73  187 Ta    x  -36895.550      55.890      7963.2123     0.2989  B-   3008.4937    55.9028  186 960391.000      60.000
+  39  113   74  187 W        -39904.044       1.213      7975.1168     0.0065  B-   1312.5048     1.1219  186 957161.249       1.302
+  37  112   75  187 Re       -41216.548       0.737      7977.9519     0.0039  B-      2.4667     0.0016  186 955752.217       0.791
+  35  111   76  187 Os       -41219.015       0.737      7973.7814     0.0039  B-  -1669.6385    27.9545  186 955749.569       0.791
+  33  110   77  187 Ir    x  -39549.377      27.945      7960.6692     0.1494  B-  -2864.0151    36.8802  186 957542.000      30.000
+  31  109   78  187 Pt       -36685.361      24.067      7941.1699     0.1287  B-  -3656.5811    27.4478  186 960616.646      25.837
+  29  108   79  187 Au       -33028.780      22.499      7917.4323     0.1203  B-  -4910.2713    25.9171  186 964542.147      24.153
+  27  107   80  187 Hg       -28118.509      12.864      7886.9905     0.0688  B-  -5673.9170    15.1746  186 969813.540      13.810
+  25  106   81  187 Tl       -22444.592       8.048      7852.4650     0.0430  B-  -7457.6370     9.5248  186 975904.740       8.640
+  23  105   82  187 Pb       -14986.955       5.094      7808.4010     0.0272  B-  -8603.6798    11.2268  186 983910.842       5.468
+  21  104   83  187 Bi   -a   -6383.275      10.005      7758.2083     0.0535  B-  -9207.0832    34.1302  186 993147.272      10.740
+  19  103   84  187 Po   -a    2823.808      32.631      7704.7889     0.1745  B-      *                  187 003031.482      35.030
+0 46  117   71  188 Lu    x  -23820#        400#         7903#         2#      B-   7009#       500#      187 974428#        429#
+  44  116   72  188 Hf    x  -30830#        300#         7936#         2#      B-   3080#       361#      187 966903#        322#
+  42  115   73  188 Ta    x  -33910#        200#         7948#         1#      B-   4758#       200#      187 963596#        215#
+  40  114   74  188 W     +  -38667.880       3.089      7969.0532     0.0164  B-    349.0000     3.0000  187 958488.325       3.316
+  38  113   75  188 Re   -n  -39016.880       0.738      7966.7481     0.0039  B-   2120.4209     0.1520  187 958113.658       0.792
+  36  112   76  188 Os       -41137.301       0.734      7973.8656     0.0039  B-  -2792.3457     9.4164  187 955837.292       0.788
+  34  111   77  188 Ir       -38344.955       9.423      7954.8512     0.0501  B-   -523.9860     8.6863  187 958834.999      10.116
+  32  110   78  188 Pt       -37820.970       5.305      7947.9027     0.0282  B-  -5449.6549     5.9528  187 959397.521       5.694
+  30  109   79  188 Au    x  -32371.315       2.701      7914.7537     0.0144  B-  -2172.9634     7.3046  187 965247.966       2.900
+  28  108   80  188 Hg       -30198.351       6.787      7899.0340     0.0361  B-  -7861.9485    30.6643  187 967580.738       7.285
+  26  107   81  188 Tl    x  -22336.403      29.904      7853.0537     0.1591  B-  -4525.3784    31.5712  187 976020.886      32.103
+  24  106   82  188 Pb   -a  -17811.024      10.124      7824.8211     0.0539  B- -10616.2241    15.0824  187 980879.079      10.868
+  22  105   83  188 Bi   -a   -7194.800      11.179      7764.1904     0.0595  B-  -6650.4226    22.8861  187 992276.064      12.001
+  20  104   84  188 Po   -a    -544.378      19.970      7724.6544     0.1062  B-      *                  187 999415.586      21.438
+0 45  117   72  189 Hf    x  -27150#        300#         7917#         2#      B-   4809#       361#      188 970853#        322#
+  43  116   73  189 Ta    x  -31960#        200#         7938#         1#      B-   3850#       283#      188 965690#        215#
+  41  115   74  189 W     +  -35809#        200#         7954#         1#      B-   2170#       200#      188 961557#        215#
+  39  114   75  189 Re   +p  -37979.097       8.191      7961.8105     0.0433  B-   1007.7049     8.1671  188 959227.764       8.793
+  37  113   76  189 Os       -38986.802       0.666      7963.0029     0.0035  B-   -537.1494    12.5630  188 958145.949       0.715
+  35  112   77  189 Ir       -38449.652      12.576      7956.0214     0.0665  B-  -1980.2470    13.6363  188 958722.602      13.500
+  33  111   78  189 Pt       -36469.405      10.090      7941.4045     0.0534  B-  -2887.4471    22.4737  188 960848.485      10.832
+  31  110   79  189 Au    x  -33581.958      20.081      7921.9876     0.1063  B-  -3955.5800    37.4009  188 963948.286      21.558
+  29  109   80  189 Hg       -29626.378      31.553      7896.9192     0.1669  B-  -5010.2727    32.6434  188 968194.776      33.873
+  27  108   81  189 Tl       -24616.105       8.368      7866.2704     0.0443  B-  -6772.0862    16.3636  188 973573.525       8.983
+  25  107   82  189 Pb       -17844.019      14.062      7826.2999     0.0744  B-  -7779.3555    25.1498  188 980843.658      15.096
+  23  106   83  189 Bi   -a  -10064.664      20.851      7780.9999     0.1103  B-  -8642.6682    30.3542  188 989195.139      22.384
+  21  105   84  189 Po   -a   -1421.996      22.059      7731.1321     0.1167  B-      *                  188 998473.425      23.681
+0 46  118   72  190 Hf    x  -24800#        400#         7905#         2#      B-   3920#       447#      189 973376#        429#
+  44  117   73  190 Ta    x  -28720#        200#         7922#         1#      B-   5649#       203#      189 969168#        215#
+  42  116   74  190 W        -34368.832      35.391      7947.5031     0.1863  B-   1214.1824    35.5545  189 963103.542      37.993
+  40  115   75  190 Re       -35583.015       4.870      7949.7759     0.0256  B-   3124.8105     4.7864  189 961800.064       5.227
+  38  114   76  190 Os       -38707.825       0.650      7962.1047     0.0034  B-  -1954.2108     1.2131  189 958445.442       0.697
+  36  113   77  190 Ir   +n  -36753.614       1.370      7947.7017     0.0072  B-    552.8893     1.2822  189 960543.374       1.470
+  34  112   78  190 Pt       -37306.504       0.657      7946.4941     0.0035  B-  -4472.9637     3.5086  189 959949.823       0.705
+  32  111   79  190 Au    x  -32833.540       3.447      7918.8345     0.0181  B-  -1462.9150    16.2760  189 964751.746       3.700
+  30  110   80  190 Hg       -31370.625      15.907      7907.0174     0.0837  B-  -7004.3892    17.4819  189 966322.250      17.076
+  28  109   81  190 Tl   +a  -24366.236       7.252      7866.0345     0.0382  B-  -3949.6288    14.4634  189 973841.771       7.784
+  26  108   82  190 Pb   -a  -20416.607      12.514      7841.1294     0.0659  B-  -9820.7014    24.4226  189 978081.872      13.434
+  24  107   83  190 Bi   -a  -10595.906      20.973      7785.3239     0.1104  B-  -6033.1975    24.7615  189 988624.828      22.515
+  22  106   84  190 Po   -a   -4562.708      13.163      7749.4526     0.0693  B-      *                  189 995101.731      14.131
+0 45  118   73  191 Ta    x  -26520#        300#         7911#         2#      B-   4657#       303#      190 971530#        322#
+  43  117   74  191 W     x  -31176.176      41.917      7931.4359     0.2195  B-   3174.2318    43.1556  190 966531.000      45.000
+  41  116   75  191 Re   +p  -34350.408      10.264      7943.9588     0.0537  B-   2044.8311    10.2443  190 963123.322      11.019
+  39  115   76  191 Os       -36395.239       0.659      7950.5687     0.0035  B-    313.5873     1.1410  190 960928.105       0.707
+  37  114   77  191 Ir       -36708.826       1.310      7948.1144     0.0069  B-  -1010.4903     3.6360  190 960591.455       1.406
+  35  113   78  191 Pt       -35698.336       4.127      7938.7279     0.0216  B-  -1900.4257     6.4260  190 961676.261       4.430
+  33  112   79  191 Au       -33797.910       4.926      7924.6819     0.0258  B-  -3206.0616    22.7103  190 963716.452       5.288
+  31  111   80  191 Hg       -30591.849      22.280      7903.8002     0.1167  B-  -4308.8981    23.4609  190 967158.301      23.918
+  29  110   81  191 Tl   +a  -26282.951       7.349      7877.1445     0.0385  B-  -5991.7073     9.8864  190 971784.093       7.889
+  27  109   82  191 Pb       -20291.243       6.613      7841.6782     0.0346  B-  -7051.8922     9.9895  190 978216.455       7.099
+  25  108   83  191 Bi       -13239.351       7.487      7800.6613     0.0392  B-  -8170.6205    10.3201  190 985786.972       8.037
+  23  107   84  191 Po        -5068.731       7.103      7753.7871     0.0372  B-  -8932.6440    17.5997  190 994558.494       7.624
+  21  106   85  191 At   -a    3863.913      16.103      7702.9233     0.0843  B-      *                  191 004148.081      17.287
+0 46  119   73  192 Ta    x  -23100#        400#         7894#         2#      B-   6520#       447#      191 975201#        429#
+  44  118   74  192 W     x  -29620#        200#         7924#         1#      B-   1969#       212#      191 968202#        215#
+  42  117   75  192 Re    x  -31588.828      70.794      7930.2389     0.3687  B-   4293.4750    70.8314  191 966088.000      76.000
+  40  116   76  192 Os       -35882.303       2.314      7948.5260     0.0121  B-  -1046.6722     2.3962  191 961478.765       2.484
+  38  115   77  192 Ir       -34835.631       1.314      7938.9999     0.0068  B-   1452.8946     2.2739  191 962602.414       1.410
+  36  114   78  192 Pt       -36288.525       2.570      7942.4923     0.0134  B-  -3516.3415    15.6174  191 961042.667       2.758
+  34  113   79  192 Au    -  -32772.184      15.827      7920.1033     0.0824  B-   -760.7028    22.1777  191 964817.615      16.991
+  32  112   80  192 Hg    x  -32011.481      15.537      7912.0666     0.0809  B-  -6139.2324    35.2767  191 965634.263      16.679
+  30  111   81  192 Tl    x  -25872.249      31.671      7876.0167     0.1650  B-  -3320.4029    32.1843  191 972225.000      34.000
+  28  110   82  192 Pb       -22551.846       5.726      7854.6482     0.0298  B-  -9017.3089    30.6518  191 975789.598       6.147
+  26  109   83  192 Bi   -a  -13534.537      30.112      7803.6084     0.1568  B-  -5468.0534    31.9348  191 985470.077      32.326
+  24  108   84  192 Po   -a   -8066.483      10.634      7771.0542     0.0554  B- -10992.2252    29.8328  191 991340.274      11.416
+  22  107   85  192 At   -a    2925.742      27.873      7709.7283     0.1452  B-      *                  192 003140.912      29.922
+0 47  120   73  193 Ta    x  -20810#        400#         7883#         2#      B-   5380#       447#      192 977660#        429#
+  45  119   74  193 W     x  -26190#        200#         7907#         1#      B-   4042#       204#      192 971884#        215#
+  43  118   75  193 Re    x  -30231.641      39.123      7923.9378     0.2027  B-   3162.7597    39.1915  192 967545.000      42.000
+  41  117   76  193 Os       -33394.401       2.320      7936.2716     0.0120  B-   1141.9038     2.4000  192 964149.637       2.490
+  39  116   77  193 Ir       -34536.305       1.327      7938.1346     0.0069  B-    -56.6276     0.2997  192 962923.753       1.425
+  37  115   78  193 Pt       -34479.677       1.359      7933.7875     0.0070  B-  -1074.8477     8.7676  192 962984.546       1.458
+  35  114   79  193 Au       -33404.829       8.674      7924.1648     0.0449  B-  -2342.6641    14.3702  192 964138.442       9.311
+  33  113   80  193 Hg       -31062.165      15.505      7907.9730     0.0803  B-  -3584.9466    16.8938  192 966653.395      16.645
+  31  112   81  193 Tl    x  -27477.218       6.707      7885.3445     0.0348  B-  -5247.9637    12.2808  192 970501.994       7.200
+  29  111   82  193 Pb       -22229.255      10.288      7854.0994     0.0533  B-  -6344.6913    12.7761  192 976135.914      11.044
+  27  110   83  193 Bi       -15884.563       7.576      7817.1718     0.0393  B-  -7559.2614    16.3874  192 982947.220       8.132
+  25  109   84  193 Po   -a   -8325.302      14.531      7773.9510     0.0753  B-  -8257.9789    26.0594  192 991062.421      15.599
+  23  108   85  193 At   -a     -67.323      21.632      7727.1099     0.1121  B-  -9110.2435    33.1444  192 999927.725      23.222
+  21  107   86  193 Rn   -a    9042.920      25.112      7675.8530     0.1301  B-      *                  193 009707.973      26.958
+0 48  121   73  194 Ta    x  -17130#        500#         7865#         3#      B-   7280#       583#      193 981610#        537#
+  46  120   74  194 W     x  -24410#        300#         7899#         2#      B-   2850#       361#      193 973795#        322#
+  44  119   75  194 Re    x  -27260#        200#         7909#         1#      B-   5175#       200#      193 970735#        215#
+  42  118   76  194 Os    +  -32435.176       2.403      7932.0232     0.0124  B-     96.6000     2.0000  193 965179.407       2.579
+  40  117   77  194 Ir   -n  -32531.776       1.332      7928.4885     0.0069  B-   2228.3252     1.2569  193 965075.703       1.429
+  38  116   78  194 Pt       -34760.101       0.496      7935.9420     0.0026  B-  -2548.1518     2.1174  193 962683.498       0.532
+  36  115   79  194 Au  +3n  -32211.950       2.118      7918.7744     0.0109  B-    -27.9978     3.5809  193 965419.051       2.273
+  34  114   80  194 Hg    x  -32183.952       2.888      7914.5974     0.0149  B-  -5246.4542    14.2677  193 965449.108       3.100
+  32  113   81  194 Tl    x  -26937.498      13.972      7883.5211     0.0720  B-  -2729.6315    22.3433  193 971081.408      15.000
+  30  112   82  194 Pb       -24207.866      17.435      7865.4181     0.0899  B-  -8184.8462    18.2094  193 974011.788      18.717
+  28  111   83  194 Bi   +a  -16023.020       5.252      7819.1955     0.0271  B-  -5018.4029    13.9386  193 982798.581       5.638
+  26  110   84  194 Po   -a  -11004.617      12.911      7789.2947     0.0666  B- -10288.1273    26.8153  193 988186.058      13.860
+  24  109   85  194 At   -a    -716.490      23.502      7732.2304     0.1211  B-  -6441.1134    28.8079  193 999230.816      25.230
+  22  108   86  194 Rn   -a    5724.624      16.659      7694.9961     0.0859  B-      *                  194 006145.636      17.884
+0 47  121   74  195 W     x  -20740#        300#         7881#         2#      B-   4820#       424#      194 977735#        322#
+  45  120   75  195 Re    x  -25560#        300#         7901#         2#      B-   3951#       305#      194 972560#        322#
+  43  119   76  195 Os    x  -29511.596      55.890      7917.7449     0.2866  B-   2180.7220    55.9055  194 968318.000      60.000
+  41  118   77  195 Ir   -n  -31692.318       1.333      7924.9160     0.0068  B-   1101.5601     1.2637  194 965976.898       1.431
+  39  117   78  195 Pt       -32793.878       0.503      7926.5530     0.0026  B-   -226.8175     0.9998  194 964794.325       0.540
+  37  116   79  195 Au       -32567.061       1.119      7921.3778     0.0057  B-  -1553.7190    23.1562  194 965037.823       1.201
+  35  115   80  195 Hg       -31013.342      23.142      7909.3980     0.1187  B-  -2858.0499    25.6707  194 966705.809      24.843
+  33  114   81  195 Tl       -28155.292      11.126      7890.7293     0.0571  B-  -4417.2524    12.2333  194 969774.052      11.944
+  31  113   82  195 Pb       -23738.039       5.088      7864.0647     0.0261  B-  -5712.4729     7.3370  194 974516.167       5.461
+  29  112   83  195 Bi       -18025.567       5.287      7830.7579     0.0271  B-  -6908.9121     8.0284  194 980648.759       5.675
+  27  111   84  195 Po       -11116.655       6.042      7791.3155     0.0310  B-  -7646.3554    11.3199  194 988065.781       6.486
+  25  110   85  195 At   -a   -3470.299       9.573      7748.0914     0.0491  B-  -8520.5842    52.5650  194 996274.480      10.276
+  23  109   86  195 Rn   -a    5050.285      51.686      7700.3841     0.2651  B-      *                  195 005421.703      55.487
+0 48  122   74  196 W     x  -18740#        400#         7872#         2#      B-   3620#       500#      195 979882#        429#
+  46  121   75  196 Re    x  -22360#        300#         7886#         2#      B-   5918#       303#      195 975996#        322#
+  44  120   76  196 Os  +pp  -28277.123      40.055      7912.2301     0.2044  B-   1158.3989    55.4951  195 969643.261      43.000
+  42  119   77  196 Ir    +  -29435.522      38.414      7914.1487     0.1960  B-   3209.0164    38.4111  195 968399.669      41.239
+  40  118   78  196 Pt       -32644.538       0.510      7926.5297     0.0026  B-  -1505.8204     2.9605  195 964954.648       0.547
+  38  117   79  196 Au       -31138.718       2.962      7914.8553     0.0151  B-    687.2263     3.1176  195 966571.213       3.179
+  36  116   80  196 Hg       -31825.944       2.946      7914.3700     0.0150  B-  -4329.3455    12.4627  195 965833.445       3.163
+  34  115   81  196 Tl    x  -27496.598      12.109      7888.2900     0.0618  B-  -2148.3639    14.3556  195 970481.189      13.000
+  32  114   82  196 Pb       -25348.234       7.710      7873.3374     0.0393  B-  -7339.2020    25.6160  195 972787.552       8.277
+  30  113   83  196 Bi    x  -18009.032      24.428      7831.9009     0.1246  B-  -4540.3012    25.0142  195 980666.509      26.224
+  28  112   84  196 Po       -13468.731       5.383      7804.7445     0.0275  B-  -9555.5564    30.7105  195 985540.722       5.778
+  26  111   85  196 At   -a   -3913.175      30.235      7752.0001     0.1543  B-  -5888.3439    33.3417  195 995799.034      32.458
+  24  110   86  196 Rn   -a    1975.169      14.054      7717.9660     0.0717  B-      *                  196 002120.431      15.087
+0 49  123   74  197 W     x  -14870#        400#         7853#         2#      B-   5480#       500#      196 984036#        429#
+  47  122   75  197 Re    x  -20350#        300#         7877#         2#      B-   4729#       361#      196 978153#        322#
+  45  121   76  197 Os    x  -25080#        200#         7897#         1#      B-   3185#       201#      196 973076#        215#
+  43  120   77  197 Ir   +p  -28264.123      20.110      7909.0003     0.1021  B-   2155.6519    20.1061  196 969657.217      21.588
+  41  119   78  197 Pt       -30419.775       0.536      7915.9714     0.0027  B-    719.9769     0.5022  196 967343.030       0.575
+  39  118   79  197 Au       -31139.751       0.542      7915.6548     0.0028  B-   -599.5206     3.2022  196 966570.103       0.581
+  37  117   80  197 Hg       -30540.231       3.207      7908.6402     0.0163  B-  -2186.0092    13.9478  196 967213.715       3.442
+  35  116   81  197 Tl   +a  -28354.222      13.575      7893.5725     0.0689  B-  -3608.8367    14.3969  196 969560.492      14.573
+  33  115   82  197 Pb       -24745.385       4.804      7871.2822     0.0244  B-  -5058.1894     9.6190  196 973434.737       5.157
+  31  114   83  197 Bi   +a  -19687.196       8.333      7841.6348     0.0423  B-  -6294.1172    12.9103  196 978864.927       8.946
+  29  113   84  197 Po       -13393.078       9.861      7805.7136     0.0501  B-  -7037.8235    12.6871  196 985621.939      10.585
+  27  112   85  197 At        -6355.255       7.983      7766.0174     0.0405  B-  -7865.6231    18.0538  196 993177.353       8.570
+  25  111   86  197 Rn   -a    1510.368      16.193      7722.1190     0.0822  B-  -8743.5996    58.7110  197 001621.446      17.383
+  23  110   87  197 Fr   -a   10253.968      56.434      7673.7640     0.2865  B-      *                  197 011008.086      60.584
+0 48  123   75  198 Re    x  -16990#        400#         7861#         2#      B-   6610#       447#      197 981760#        429#
+  46  122   76  198 Os    x  -23600#        200#         7890#         1#      B-   2110#       283#      197 974664#        215#
+  44  121   77  198 Ir    x  -25710#        200#         7897#         1#      B-   4194#       200#      197 972399#        215#
+  42  120   78  198 Pt       -29904.018       2.100      7914.1512     0.0106  B-   -323.2251     2.0595  197 967896.718       2.254
+  40  119   79  198 Au       -29580.793       0.540      7908.5675     0.0027  B-   1373.5226     0.4905  197 968243.714       0.579
+  38  118   80  198 Hg       -30954.315       0.458      7911.5532     0.0023  B-  -3425.5625     7.5590  197 966769.177       0.491
+  36  117   81  198 Tl    x  -27528.753       7.545      7890.3011     0.0381  B-  -1461.3103    11.5537  197 970446.669       8.100
+  34  116   82  198 Pb       -26067.443       8.750      7878.9695     0.0442  B-  -6693.5916    28.9259  197 972015.450       9.393
+  32  115   83  198 Bi       -19373.851      27.571      7841.2123     0.1392  B-  -3900.5727    32.6152  197 979201.316      29.598
+  30  114   84  198 Po       -15473.278      17.424      7817.5611     0.0880  B-  -8764.5316    18.1013  197 983388.753      18.705
+  28  113   85  198 At        -6708.747       4.904      7769.3446     0.0248  B-  -5478.4271    14.2879  197 992797.864       5.265
+  26  112   86  198 Rn   -a   -1230.320      13.420      7737.7245     0.0678  B- -10808.0177    33.8991  197 998679.197      14.406
+  24  111   87  198 Fr   -a    9577.698      31.130      7679.1873     0.1572  B-      *                  198 010282.081      33.419
+0 49  124   75  199 Re    x  -14730#        400#         7850#         2#      B-   5541#       447#      198 984187#        429#
+  47  123   76  199 Os    x  -20270#        200#         7874#         1#      B-   4128#       204#      198 978239#        215#
+  45  122   77  199 Ir p-2n  -24398.534      41.054      7891.2066     0.2063  B-   2990.1656    41.0030  198 973807.097      44.073
+  43  121   78  199 Pt   -n  -27388.700       2.159      7902.3011     0.0109  B-   1705.0525     2.1201  198 970597.022       2.317
+  41  120   79  199 Au       -29093.752       0.542      7906.9379     0.0027  B-    452.3142     0.6126  198 968766.573       0.581
+  39  119   80  199 Hg       -29546.066       0.526      7905.2794     0.0027  B-  -1486.6695    27.9498  198 968280.994       0.564
+  37  118   81  199 Tl    x  -28059.397      27.945      7893.8773     0.1404  B-  -2827.6624    28.7653  198 969877.000      30.000
+  35  117   82  199 Pb   +a  -25231.734       6.821      7875.7366     0.0343  B-  -4434.1181    12.6179  198 972912.620       7.322
+  33  116   83  199 Bi       -20797.616      10.615      7849.5232     0.0533  B-  -5558.7875    11.9224  198 977672.841      11.395
+  31  115   84  199 Po   -a  -15238.829       5.429      7817.6582     0.0273  B-  -6415.4515     7.6464  198 983640.445       5.828
+  29  114   85  199 At        -8823.377       5.384      7781.4883     0.0271  B-  -7263.5308     9.0686  198 990527.715       5.780
+  27  113   86  199 Rn   -a   -1559.846       7.297      7741.0568     0.0367  B-  -8331.2349    15.5446  198 998325.436       7.833
+  25  112   87  199 Fr   -a    6771.388      13.726      7695.2599     0.0690  B-      *                  199 007269.384      14.734
+0 48  124   76  200 Os    x  -18550#        300#         7867#         1#      B-   3020#       358#      199 980086#        322#
+  46  123   77  200 Ir    x  -21570#        196#         7878#         1#      B-   5030#       197#      199 976844#        210#
+  44  122   78  200 Pt  -nn  -26599.178      20.110      7899.1986     0.1006  B-    640.9158    33.4386  199 971444.609      21.588
+  42  121   79  200 Au       -27240.094      26.717      7898.4915     0.1336  B-   2263.1737    26.7188  199 970756.558      28.681
+  40  120   80  200 Hg       -29503.267       0.530      7905.8956     0.0027  B-  -2456.0403     5.7346  199 968326.941       0.568
+  38  119   81  200 Tl    -  -27047.227       5.759      7889.7037     0.0288  B-   -796.3695    11.5360  199 970963.608       6.182
+  36  118   82  200 Pb       -26250.858      10.008      7881.8101     0.0500  B-  -5880.2841    24.8094  199 971818.546      10.744
+  34  117   83  200 Bi   +a  -20370.574      22.701      7848.4969     0.1135  B-  -3428.8901    23.9327  199 978131.290      24.370
+  32  116   84  200 Po       -16941.683       7.579      7827.4407     0.0379  B-  -7953.7897    25.6119  199 981812.355       8.136
+  30  115   85  200 At   -a   -8987.894      24.465      7783.7601     0.1223  B-  -4987.4394    25.1411  199 990351.099      26.264
+  28  114   86  200 Rn   -a   -4000.454       5.792      7754.9111     0.0290  B- -10134.0327    31.0688  199 995705.335       6.217
+  26  113   87  200 Fr   -a    6133.578      30.524      7700.3292     0.1526  B-      *                  200 006584.666      32.769
+0 49  125   76  201 Os    x  -14840#        300#         7849#         1#      B-   5000#       361#      200 984069#        322#
+  47  124   77  201 Ir    x  -19840#        200#         7870#         1#      B-   3901#       206#      200 978701#        215#
+  45  123   78  201 Pt    +  -23740.705      50.103      7885.8337     0.2493  B-   2660.0000    50.0000  200 974513.305      53.788
+  43  122   79  201 Au       -26400.705       3.218      7895.1752     0.0160  B-   1261.8237     3.1471  200 971657.678       3.455
+  41  121   80  201 Hg       -27662.529       0.712      7897.5607     0.0036  B-   -481.7508    14.1815  200 970303.054       0.763
+  39  120   81  201 Tl       -27180.778      14.185      7891.2717     0.0706  B-  -1909.7458    18.5299  200 970820.235      15.228
+  37  119   82  201 Pb       -25271.033      13.747      7877.8782     0.0684  B-  -3842.0269    18.3637  200 972870.431      14.758
+  35  118   83  201 Bi   +a  -21429.006      12.177      7854.8713     0.0606  B-  -4907.8397    13.1377  200 976995.017      13.072
+  33  117   84  201 Po       -16521.166       4.942      7826.5619     0.0246  B-  -5731.7247     9.5606  200 982263.799       5.305
+  31  116   85  201 At   +a  -10789.441       8.184      7794.1536     0.0407  B-  -6682.0288    13.0163  200 988417.058       8.786
+  29  115   86  201 Rn   -a   -4107.413      10.121      7757.0174     0.0504  B-  -7695.9856    13.5972  200 995590.511      10.865
+  27  114   87  201 Fr   -a    3588.573       9.080      7714.8367     0.0452  B-  -8348.2439    22.2391  201 003852.491       9.747
+  25  113   88  201 Ra   -a   11936.817      20.301      7669.4108     0.1010  B-      *                  201 012814.699      21.794
+0 50  126   76  202 Os    x  -12530#        400#         7839#         2#      B-   4110#       500#      201 986548#        429#
+  48  125   77  202 Ir    x  -16640#        300#         7855#         1#      B-   6052#       301#      201 982136#        322#
+  46  124   78  202 Pt    x  -22692.128      25.150      7881.5609     0.1245  B-   1660.8540    34.2759  201 975639.000      27.000
+  44  123   79  202 Au    x  -24352.982      23.287      7885.9100     0.1153  B-   2992.3278    23.2980  201 973856.000      25.000
+  42  122   80  202 Hg       -27345.310       0.705      7896.8505     0.0035  B-  -1364.8906     1.8348  201 970643.604       0.757
+  40  121   81  202 Tl       -25980.419       1.838      7886.2206     0.0091  B-    -39.8110     4.1863  201 972108.874       1.972
+  38  120   82  202 Pb       -25940.608       3.796      7882.1505     0.0188  B-  -5189.7539    14.5070  201 972151.613       4.075
+  36  119   83  202 Bi       -20750.854      14.002      7852.5857     0.0693  B-  -2809.2850    16.4660  201 977723.042      15.032
+  34  118   84  202 Po       -17941.569       8.670      7834.8053     0.0429  B-  -7346.4628    28.9311  201 980738.934       9.307
+  32  117   85  202 At       -10595.106      27.601      7794.5637     0.1366  B-  -4320.5458    32.6924  201 988625.686      29.631
+  30  116   86  202 Rn   -a   -6274.561      17.520      7769.3018     0.0867  B-  -9376.0984    18.5296  201 993263.982      18.808
+  28  115   87  202 Fr   -a    3101.538       6.033      7719.0125     0.0299  B-  -5973.3620    16.1841  202 003329.637       6.476
+  26  114   88  202 Ra   -a    9074.900      15.018      7685.5684     0.0743  B-      *                  202 009742.305      16.122
+0 51  127   76  203 Os    x   -7270#        400#         7814#         2#      B-   7100#       565#      202 992195#        429#
+  49  126   77  203 Ir    x  -14370#        400#         7845#         2#      B-   5140#       447#      202 984573#        429#
+  47  125   78  203 Pt    x  -19510#        200#         7867#         1#      B-   3633#       200#      202 979055#        215#
+  45  124   79  203 Au       -23143.444       3.083      7880.8650     0.0152  B-   2125.7592     3.4514  202 975154.492       3.309
+  43  123   80  203 Hg       -25269.203       1.630      7887.4828     0.0080  B-    492.1062     1.2247  202 972872.396       1.750
+  41  122   81  203 Tl       -25761.309       1.171      7886.0530     0.0058  B-   -974.8265     6.4609  202 972344.098       1.257
+  39  121   82  203 Pb       -24786.483       6.554      7877.3970     0.0323  B-  -3261.5896    14.3559  202 973390.617       7.036
+  37  120   83  203 Bi   +a  -21524.893      12.778      7857.4762     0.0629  B-  -4214.0744    13.5942  202 976892.077      13.717
+  35  119   84  203 Po       -17310.819       4.640      7832.8632     0.0229  B-  -5148.2116    11.5921  202 981416.072       4.981
+  33  118   85  203 At       -12162.607      10.623      7803.6487     0.0523  B-  -5978.5623    12.1098  202 986942.904      11.404
+  31  117   86  203 Rn   -a   -6184.045       5.815      7770.3437     0.0286  B-  -7060.4572     8.5231  202 993361.155       6.242
+  29  116   87  203 Fr          876.412       6.232      7731.7092     0.0307  B-  -7724.9182    11.5191  203 000940.867       6.689
+  27  115   88  203 Ra   -a    8601.331       9.688      7689.8015     0.0477  B-      *                  203 009233.907      10.400
+0 50  127   77  204 Ir    x   -9570#        400#         7823#         2#      B-   8050#       447#      203 989726#        429#
+  48  126   78  204 Pt    x  -17620#        200#         7859#         1#      B-   2770#       283#      203 981084#        215#
+  46  125   79  204 Au    +  -20390#        200#         7868#         1#      B-   4300#       200#      203 978110#        215#
+  44  124   80  204 Hg       -24690.148       0.498      7885.5455     0.0025  B-   -344.0781     1.1876  203 973494.037       0.534
+  42  123   81  204 Tl       -24346.070       1.154      7880.0238     0.0057  B-    763.7453     0.1768  203 973863.420       1.238
+  40  122   82  204 Pb       -25109.815       1.147      7879.9326     0.0056  B-  -4463.8883     9.2480  203 973043.506       1.231
+  38  121   83  204 Bi   +a  -20645.927       9.180      7854.2157     0.0450  B-  -2304.8814    13.6253  203 977835.687       9.854
+  36  120   84  204 Po       -18341.045      10.071      7839.0823     0.0494  B-  -6465.7939    24.8047  203 980310.078      10.811
+  34  119   85  204 At       -11875.252      22.668      7803.5522     0.1111  B-  -3905.1360    23.8592  203 987251.393      24.335
+  32  118   86  204 Rn        -7970.115       7.444      7780.5743     0.0365  B-  -8577.4239    25.6840  203 991443.729       7.991
+  30  117   87  204 Fr   -a     607.308      24.581      7734.6931     0.1205  B-  -5453.7889    26.1514  204 000651.972      26.389
+  28  116   88  204 Ra   -a    6061.097       8.924      7704.1238     0.0437  B-      *                  204 006506.855       9.580
+0 51  128   77  205 Ir    x   -5600#        500#         7805#         2#      B-   7220#       583#      204 993988#        537#
+  49  127   78  205 Pt    x  -12820#        300#         7836#         1#      B-   5750#       361#      204 986237#        322#
+  47  126   79  205 Au    x  -18570#        200#         7860#         1#      B-   3717#       200#      204 980064#        215#
+  45  125   80  205 Hg       -22287.719       3.655      7874.7325     0.0178  B-   1533.0836     3.7238  204 976073.151       3.923
+  43  124   81  205 Tl       -23820.802       1.239      7878.3946     0.0060  B-    -50.6402     0.5033  204 974427.318       1.330
+  41  123   82  205 Pb       -23770.162       1.145      7874.3313     0.0056  B-  -2704.5927     4.8196  204 974481.682       1.228
+  39  122   83  205 Bi       -21065.569       4.808      7857.3218     0.0235  B-  -3544.1710    11.1458  204 977385.182       5.161
+  37  121   84  205 Po       -17521.398      10.059      7836.2168     0.0491  B-  -4536.8793    15.6996  204 981190.006      10.798
+  35  120   85  205 At   +a  -12984.519      12.055      7810.2694     0.0588  B-  -5274.7547    13.0777  204 986060.546      12.941
+  33  119   86  205 Rn        -7709.764       5.080      7780.7226     0.0248  B-  -6399.9479     9.3288  204 991723.228       5.453
+  31  118   87  205 Fr    x   -1309.816       7.824      7745.6870     0.0382  B-  -7113.6693    24.0784  204 998593.854       8.399
+  29  117   88  205 Ra   -a    5803.853      22.772      7707.1698     0.1111  B-  -8302.8357    63.5402  205 006230.692      24.446
+  27  116   89  205 Ac   -a   14106.689      59.320      7662.8519     0.2894  B-      *                  205 015144.152      63.682
+0 50  128   78  206 Pt    x   -9240#        300#         7820#         1#      B-   4950#       424#      205 990080#        322#
+  48  127   79  206 Au    x  -14190#        300#         7840#         1#      B-   6755#       301#      205 984766#        322#
+  46  126   80  206 Hg   +a  -20945.728      20.441      7869.1723     0.0992  B-   1307.5659    20.4100  205 977513.837      21.943
+  44  125   81  206 Tl       -22253.293       1.286      7871.7219     0.0062  B-   1532.2128     0.6117  205 976110.108       1.380
+  42  124   82  206 Pb       -23785.506       1.144      7875.3620     0.0056  B-  -3757.3057     7.5461  205 974465.210       1.228
+  40  123   83  206 Bi    -  -20028.201       7.632      7853.3249     0.0371  B-  -1839.5323     8.6005  205 978498.843       8.193
+  38  122   84  206 Po   -a  -18188.668       4.012      7840.5973     0.0195  B-  -5749.2803    14.1099  205 980473.662       4.306
+  36  121   85  206 At       -12439.388      13.529      7808.8904     0.0657  B-  -3306.4697    16.0227  205 986645.768      14.523
+  34  120   86  206 Rn        -9132.918       8.591      7789.0417     0.0417  B-  -7886.0592    29.1075  205 990195.409       9.223
+  32  119   87  206 Fr        -1246.859      27.811      7746.9621     0.1350  B-  -4812.4721    33.1318  205 998661.441      29.856
+  30  118   88  206 Ra   -a    3565.613      18.008      7719.8028     0.0874  B-  -9919.1406    67.5328  206 003827.842      19.332
+  28  117   89  206 Ac   -a   13484.754      65.088      7667.8538     0.3160  B-      *                  206 014476.477      69.874
+0 51  129   78  207 Pt    x   -4140#        400#         7797#         2#      B-   6501#       500#      206 995556#        429#
+  49  128   79  207 Au    x  -10640#        300#         7824#         1#      B-   5847#       301#      206 988577#        322#
+  47  127   80  207 Hg    x  -16487.446      29.808      7848.6112     0.1440  B-   4546.9906    30.3000  206 982300.000      32.000
+  45  126   81  207 Tl       -21034.436       5.439      7866.7979     0.0263  B-   1417.5323     5.4024  206 977418.605       5.839
+  43  125   82  207 Pb       -22451.968       1.147      7869.8664     0.0055  B-  -2397.4140     2.1175  206 975896.821       1.231
+  41  124   83  207 Bi       -20054.554       2.397      7854.5053     0.0116  B-  -2908.8541     6.6140  206 978470.551       2.573
+  39  123   84  207 Po       -17145.700       6.659      7836.6734     0.0322  B-  -3918.2186    14.0754  206 981593.334       7.148
+  37  122   85  207 At   +a  -13227.482      12.406      7813.9653     0.0599  B-  -4592.7400    13.2815  206 985799.715      13.318
+  35  121   86  207 Rn        -8634.742       4.742      7787.9987     0.0229  B-  -5785.7211    18.1857  206 990730.224       5.090
+  33  120   87  207 Fr        -2849.021      17.557      7756.2689     0.0848  B-  -6363.0084    60.8726  206 996941.450      18.847
+  31  119   88  207 Ra   -a    3513.988      58.286      7721.7503     0.2816  B-  -7632.2404    81.0004  207 003772.420      62.572
+  29  118   89  207 Ac   -a   11146.228      56.248      7681.1001     0.2717  B-      *                  207 011965.967      60.384
+0 52  130   78  208 Pt    x    -500#        400#         7780#         2#      B-   5410#       500#      207 999463#        429#
+  50  129   79  208 Au    x   -5910#        300#         7803#         1#      B-   7355#       302#      207 993655#        322#
+  48  128   80  208 Hg    x  -13265.408      30.739      7834.1914     0.1478  B-   3484.7131    30.7951  207 985759.000      33.000
+  46  127   81  208 Tl   +a  -16750.121       1.854      7847.1835     0.0089  B-   4998.3984     1.6693  207 982018.006       1.989
+  44  126   82  208 Pb       -21748.519       1.148      7867.4530     0.0055  B-  -2878.3680     2.0127  207 976652.005       1.232
+  42  125   83  208 Bi   +n  -18870.151       2.305      7849.8534     0.0111  B-  -1400.9438     2.3787  207 979742.060       2.474
+  40  124   84  208 Po       -17469.207       1.672      7839.3568     0.0080  B-  -4999.3061     9.0736  207 981246.035       1.795
+  38  123   85  208 At   +a  -12469.901       8.921      7811.5604     0.0429  B-  -2814.5118    13.5215  207 986613.011       9.577
+  36  122   86  208 Rn        -9655.389      10.163      7794.2678     0.0489  B-  -6990.4614    15.4656  207 989634.513      10.910
+  34  121   87  208 Fr        -2664.928      11.657      7756.8985     0.0560  B-  -4392.8615    14.7413  207 997139.082      12.514
+  32  120   88  208 Ra   -a    1727.934       9.023      7732.0177     0.0434  B-  -9032.9208    65.1111  208 001855.012       9.686
+  30  119   89  208 Ac   -a   10760.854      64.483      7684.8289     0.3100  B-  -5927.1868    71.9264  208 011552.251      69.225
+  28  118   90  208 Th   -a   16688.041      31.865      7652.5716     0.1532  B-      *                  208 017915.348      34.208
+0 51  130   79  209 Au    x   -2230#        400#         7786#         2#      B-   6380#       427#      208 997606#        429#
+  49  129   80  209 Hg    x   -8610#        150#         7813#         1#      B-   5035#       150#      208 990757#        161#
+  47  128   81  209 Tl   +a  -13644.793       6.110      7833.3979     0.0292  B-   3969.7809     6.2115  208 985351.713       6.559
+  45  127   82  209 Pb       -17614.574       1.747      7848.6488     0.0084  B-    644.0152     1.1462  208 981089.978       1.875
+  43  126   83  209 Bi       -18258.589       1.365      7847.9869     0.0065  B-  -1892.5741     1.5635  208 980398.599       1.465
+  41  125   84  209 Po   -a  -16366.015       1.778      7835.1882     0.0085  B-  -3482.2417     4.9599  208 982430.361       1.909
+  39  124   85  209 At       -12883.773       4.745      7814.7835     0.0227  B-  -3942.7237    11.0298  208 986168.701       5.094
+  37  123   86  209 Rn        -8941.049       9.960      7792.1755     0.0477  B-  -5158.9051    15.2153  208 990401.389      10.692
+  35  122   87  209 Fr        -3782.144      11.503      7763.7485     0.0550  B-  -5640.3845    12.8549  208 995939.701      12.349
+  33  121   88  209 Ra   -a    1858.240       5.747      7733.0177     0.0275  B-  -6986.6464    56.1409  209 001994.902       6.169
+  31  120   89  209 Ac   -a    8844.887      55.846      7695.8455     0.2672  B-  -7550#       117#      209 009495.375      59.953
+  29  119   90  209 Th   IT   16395#        103#         7656#         0#      B-      *                  209 017601#        111#
+0 52  131   79  210 Au    x    2680#        400#         7764#         2#      B-   7980#       447#      210 002877#        429#
+  50  130   80  210 Hg    x   -5300#        200#         7799#         1#      B-   3947#       201#      209 994310#        215#
+  48  129   81  210 Tl   +a   -9246.996      11.603      7813.5890     0.0553  B-   5481.4334    11.5610  209 990072.942      12.456
+  46  128   82  210 Pb       -14728.429       1.448      7835.9656     0.0069  B-     63.4758     0.4992  209 984188.381       1.554
+  44  127   83  210 Bi       -14791.905       1.364      7832.5424     0.0065  B-   1161.1549     0.7662  209 984120.237       1.463
+  42  126   84  210 Po       -15953.060       1.146      7834.3462     0.0055  B-  -3980.9605     7.6101  209 982873.686       1.230
+  40  125   85  210 At   -a  -11972.099       7.695      7811.6638     0.0366  B-  -2367.3352     8.9225  209 987147.423       8.261
+  38  124   86  210 Rn   -a   -9604.764       4.557      7796.6653     0.0217  B-  -6261.2558    14.1720  209 989688.862       4.892
+  36  123   87  210 Fr        -3343.508      13.420      7763.1243     0.0639  B-  -3786.3467    16.2633  209 996410.596      14.407
+  34  122   88  210 Ra   -a     442.839       9.193      7741.3687     0.0438  B-  -8321.2403    62.8832  210 000475.406       9.868
+  32  121   89  210 Ac         8764.079      62.208      7698.0182     0.2962  B-  -5295.4420    65.0180  210 009408.625      66.782
+  30  120   90  210 Th   -a   14059.521      18.909      7669.0764     0.0900  B-      *                  210 015093.515      20.299
+0 51  131   80  211 Hg    x    -390#        200#         7777#         1#      B-   5688#       205#      210 999581#        215#
+  49  130   81  211 Tl    x   -6077.999      41.917      7799.7915     0.1987  B-   4415.0129    41.9781  210 993475.000      45.000
+  47  129   82  211 Pb       -10493.012       2.260      7817.0079     0.0107  B-   1366.1041     5.4713  210 988735.288       2.426
+  45  128   83  211 Bi       -11859.116       5.442      7819.7745     0.0258  B-    573.3763     5.4297  210 987268.715       5.842
+  43  127   84  211 Po   -a  -12432.492       1.255      7818.7842     0.0060  B-   -785.3012     2.5385  210 986653.171       1.347
+  41  126   85  211 At   -a  -11647.191       2.729      7811.3545     0.0129  B-  -2891.8615     6.8937  210 987496.226       2.929
+  39  125   86  211 Rn   -a   -8755.330       6.813      7793.9412     0.0323  B-  -4615.0152    13.7862  210 990600.767       7.314
+  37  124   87  211 Fr        -4140.314      11.991      7768.3613     0.0568  B-  -4972.1844    12.9786  210 995555.189      12.872
+  35  123   88  211 Ra          831.870       4.966      7741.0887     0.0235  B-  -6311.6152    53.9818  211 000893.049       5.331
+  33  122   89  211 Ac         7143.485      53.753      7707.4680     0.2548  B-  -6732.9111   101.4758  211 007668.846      57.706
+  31  121   90  211 Th   -a   13876.396      86.070      7671.8506     0.4079  B-  -8175.8296   110.6091  211 014896.923      92.399
+  29  120   91  211 Pa   -a   22052.226      69.472      7629.3948     0.3293  B-      *                  211 023674.036      74.581
+0 52  132   80  212 Hg    x    3020#        300#         7762#         1#      B-   4571#       361#      212 003242#        322#
+  50  131   81  212 Tl   +a   -1551#        200#         7780#         1#      B-   5998#       200#      211 998335#        215#
+  48  130   82  212 Pb        -7548.929       1.840      7804.3203     0.0087  B-    569.0133     1.8246  211 991895.891       1.975
+  46  129   83  212 Bi        -8117.943       1.853      7803.3140     0.0087  B-   2251.4656     1.6671  211 991285.030       1.989
+  44  128   84  212 Po       -10369.408       1.153      7810.2438     0.0054  B-  -1741.2596     2.1066  211 988867.982       1.237
+  42  127   85  212 At   -a   -8628.149       2.385      7798.3400     0.0113  B-     31.0705     3.5927  211 990737.301       2.559
+  40  126   86  212 Rn   -a   -8659.219       3.110      7794.7963     0.0147  B-  -5143.2210     9.3064  211 990703.946       3.338
+  38  125   87  212 Fr        -3515.998       8.775      7766.8455     0.0414  B-  -3317.2355    13.4939  211 996225.420       9.419
+  36  124   88  212 Ra         -198.763      10.254      7747.5078     0.0484  B-  -7498.3626    24.1666  211 999786.619      11.007
+  34  123   89  212 Ac         7299.600      21.883      7708.4479     0.1032  B-  -4811.2864    24.1055  212 007836.442      23.492
+  32  122   90  212 Th   -a   12110.886      10.109      7682.0628     0.0477  B-  -9485.6366    88.1858  212 013001.570      10.852
+  30  121   91  212 Pa   -a   21596.523      87.604      7633.6289     0.4132  B-      *                  212 023184.819      94.047
+0 53  133   80  213 Hg    x    8200#        300#         7739#         1#      B-   6416#       301#      213 008803#        322#
+  51  132   81  213 Tl    x    1783.811      27.013      7765.4311     0.1268  B-   4987.4088    27.8941  213 001915.000      29.000
+  49  131   82  213 Pb   +a   -3203.598       6.954      7785.1732     0.0326  B-   2028.0730     8.3708  212 996560.796       7.465
+  47  130   83  213 Bi        -5231.671       5.082      7791.0217     0.0239  B-   1421.8481     5.4898  212 994383.570       5.455
+  45  129   84  213 Po        -6653.519       3.053      7794.0240     0.0143  B-    -73.9972     5.4646  212 992857.154       3.277
+  43  128   85  213 At   -a   -6579.522       4.898      7790.0036     0.0230  B-   -883.5727     5.7243  212 992936.593       5.258
+  41  127   86  213 Rn   -a   -5695.949       3.370      7782.1824     0.0158  B-  -2141.7493     5.6996  212 993885.147       3.618
+  39  126   87  213 Fr        -3554.199       4.707      7768.4543     0.0221  B-  -3899.7568    10.8862  212 996184.410       5.053
+  37  125   88  213 Ra          345.557       9.818      7746.4726     0.0461  B-  -5795.4721    15.2463  213 000370.971      10.540
+  35  124   89  213 Ac         6141.029      11.665      7715.5908     0.0548  B-  -5979.0781    14.8635  213 006592.665      12.522
+  33  123   90  213 Th   -a   12120.108       9.217      7683.8470     0.0433  B-  -7534.0866    57.9078  213 013011.470       9.895
+  31  122   91  213 Pa   -a   19654.194      57.170      7644.8027     0.2684  B-      *                  213 021099.644      61.374
+0 54  134   80  214 Hg    x   11770#        400#         7724#         2#      B-   5306#       445#      214 012636#        429#
+  52  133   81  214 Tl    x    6465#        196#         7745#         1#      B-   6648#       196#      214 006940#        210#
+  50  132   82  214 Pb         -183.019       1.969      7772.3955     0.0092  B-   1017.7611    11.2559  213 999803.521       2.114
+  48  131   83  214 Bi        -1200.780      11.209      7773.4955     0.0524  B-   3269.1925    11.1649  213 998710.909      12.033
+  46  130   84  214 Po        -4469.972       1.449      7785.1163     0.0068  B-  -1090.8208     3.7750  213 995201.287       1.556
+  44  129   85  214 At        -3379.151       3.982      7776.3632     0.0186  B-    940.5125     9.8827  213 996372.331       4.274
+  42  128   86  214 Rn   -a   -4319.664       9.187      7777.1023     0.0429  B-  -3361.3369    12.4238  213 995362.650       9.862
+  40  127   87  214 Fr   -a    -958.327       8.519      7757.7393     0.0398  B-  -1051.0675     9.9879  213 998971.193       9.145
+  38  126   88  214 Ra   -a      92.740       5.250      7749.1719     0.0245  B-  -6340.5313    14.5317  214 000099.560       5.636
+  36  125   89  214 Ac         6433.272      13.551      7715.8874     0.0633  B-  -4261.6599    17.2389  214 006906.400      14.547
+  34  124   90  214 Th   -a   10694.932      10.661      7692.3173     0.0498  B-  -8764.9630    81.9051  214 011481.480      11.445
+  32  123   91  214 Pa   -a   19459.895      81.208      7647.7037     0.3795  B-      *                  214 020891.055      87.180
+0 55  135   80  215 Hg    x   17110#        400#         7701#         2#      B-   7079#       500#      215 018368#        429#
+  53  134   81  215 Tl    x   10030#        300#         7730#         1#      B-   5688#       305#      215 010768#        322#
+  51  133   82  215 Pb   +a    4342.245      52.685      7752.7381     0.2450  B-   2712.9729    52.9848  215 004661.591      56.560
+  49  132   83  215 Bi         1629.272       5.624      7761.7177     0.0262  B-   2171.0426     5.5297  215 001749.095       6.037
+  47  131   84  215 Po         -541.771       2.120      7768.1768     0.0099  B-    714.8128     6.6491  214 999418.385       2.276
+  45  130   85  215 At   -a   -1256.583       6.629      7767.8627     0.0308  B-    -87.5935     8.9062  214 998651.002       7.116
+  43  129   86  215 Rn   -a   -1168.990       6.090      7763.8164     0.0283  B-  -1487.1274     9.1890  214 998745.037       6.538
+  41  128   87  215 Fr   -a     318.137       7.066      7753.2607     0.0329  B-  -2213.8573     9.7691  215 000341.534       7.585
+  39  127   88  215 Ra   -a    2531.995       7.201      7739.3249     0.0335  B-  -3498.5554    14.3395  215 002718.208       7.730
+  37  126   89  215 Ac   -a    6030.550      12.406      7719.4137     0.0577  B-  -4890.8833    13.9296  215 006474.061      13.318
+  35  125   90  215 Th   -a   10921.434       6.335      7693.0266     0.0295  B-  -6883.1037    82.6932  215 011724.640       6.800
+  33  124   91  215 Pa   -a   17804.537      82.450      7657.3733     0.3835  B-  -7084.7747   132.8246  215 019113.955      88.513
+  31  123   92  215 U    -a   24889.312     104.136      7620.7821     0.4844  B-      *                  215 026719.774     111.794
+0 56  136   80  216 Hg    x   20920#        400#         7685#         2#      B-   6050#       500#      216 022459#        429#
+  54  135   81  216 Tl    x   14870#        300#         7709#         1#      B-   7361#       361#      216 015964#        322#
+  52  134   82  216 Pb    x    7510#        200#         7740#         1#      B-   1636#       201#      216 008062#        215#
+  50  133   83  216 Bi    x    5873.988      11.178      7743.4996     0.0518  B-   4091.6520    11.3243  216 006305.985      12.000
+  48  132   84  216 Po         1782.336       1.815      7758.8205     0.0084  B-   -474.3423     3.5713  216 001913.416       1.948
+  46  131   85  216 At   -a    2256.678       3.575      7753.0024     0.0166  B-   2003.3657     6.6383  216 002422.643       3.837
+  44  130   86  216 Rn   -a     253.312       5.768      7758.6553     0.0267  B-  -2717.7096     6.9366  216 000271.942       6.192
+  42  129   87  216 Fr   -a    2971.022       4.174      7742.4513     0.0193  B-   -320.4441     8.8904  216 003189.523       4.480
+  40  128   88  216 Ra   -a    3291.466       8.004      7737.3458     0.0371  B-  -4858.2701    12.2147  216 003533.534       8.592
+  38  127   89  216 Ac         8149.736       9.230      7711.2319     0.0427  B-  -2148.8006    14.4375  216 008749.101       9.908
+  36  126   90  216 Th   -a   10298.537      11.104      7697.6617     0.0514  B-  -7525.2616    27.0327  216 011055.933      11.920
+  34  125   91  216 Pa   -a   17823.799      24.647      7659.2006     0.1141  B-  -5242.6308    37.3721  216 019134.633      26.459
+  32  124   92  216 U    -a   23066.429      28.093      7631.3072     0.1301  B-      *                  216 024762.829      30.158
+0 55  136   81  217 Tl    x   18660#        400#         7693#         2#      B-   6399#       500#      217 020032#        429#
+  53  135   82  217 Pb    x   12260#        300#         7719#         1#      B-   3530#       300#      217 013162#        322#
+  51  134   83  217 Bi    x    8729.963      17.698      7731.8491     0.0816  B-   2846.5103    18.8695  217 009372.000      19.000
+  49  133   84  217 Po   +a    5883.452       6.544      7741.3614     0.0302  B-   1488.8543     7.9791  217 006316.145       7.025
+  47  132   85  217 At         4394.598       5.001      7744.6172     0.0230  B-    736.0320     6.1505  217 004717.794       5.368
+  45  131   86  217 Rn   -a    3658.566       4.198      7744.4037     0.0193  B-   -656.0967     7.5383  217 003927.632       4.506
+  43  130   87  217 Fr   -a    4314.663       6.531      7737.7750     0.0301  B-  -1574.8729     9.4723  217 004631.980       7.011
+  41  129   88  217 Ra   -a    5889.536       7.047      7726.9122     0.0325  B-  -2812.7853    13.2129  217 006322.676       7.564
+  39  128   89  217 Ac   -a    8702.321      11.223      7710.3448     0.0517  B-  -3503.4590    15.4454  217 009342.325      12.048
+  37  127   90  217 Th   -a   12205.780      10.614      7690.5945     0.0489  B-  -4848.9680    16.3966  217 013103.443      11.394
+  35  126   91  217 Pa   -a   17054.748      12.498      7664.6438     0.0576  B-  -5916#        81#      217 018309.024      13.417
+  33  125   92  217 U    -a   22971#         81#         7634#         0#      B-      *                  217 024660#         86#
+0 56  137   81  218 Tl    x   23710#        400#         7672#         2#      B-   8081#       500#      218 025454#        429#
+  54  136   82  218 Pb    x   15630#        300#         7705#         1#      B-   2414#       301#      218 016779#        322#
+  52  135   83  218 Bi    x   13216.038      27.013      7712.8280     0.1239  B-   4859.3866    27.0849  218 014188.000      29.000
+  50  134   84  218 Po         8356.652       1.967      7731.5300     0.0090  B-    256.4334    11.5490  218 008971.234       2.112
+  48  133   85  218 At   -a    8100.218      11.503      7729.1175     0.0528  B-   2882.8048    11.6054  218 008695.941      12.349
+  46  132   86  218 Rn         5217.413       2.316      7738.7527     0.0106  B-  -1842.0267     4.4418  218 005601.123       2.486
+  44  131   87  218 Fr   -a    7059.440       4.235      7726.7143     0.0194  B-    413.8838    10.5603  218 007578.620       4.546
+  42  130   88  218 Ra   -a    6645.556       9.807      7725.0241     0.0450  B-  -4205.2887    58.4224  218 007134.297      10.528
+  40  129   89  218 Ac   -a   10850.845      57.616      7702.1450     0.2643  B-  -1515.9019    58.5648  218 011648.860      61.853
+  38  128   90  218 Th   -a   12366.747      10.516      7691.6026     0.0482  B-  -6282.8212    20.7132  218 013276.248      11.289
+  36  127   91  218 Pa   -a   18649.568      17.846      7659.1935     0.0819  B-  -3245.0869    22.5042  218 020021.133      19.158
+  34  126   92  218 U    -a   21894.655      13.714      7640.7191     0.0629  B-      *                  218 023504.877      14.722
+0 55  137   82  219 Pb    x   20620#        400#         7684#         2#      B-   4300#       447#      219 022136#        429#
+  53  136   83  219 Bi    x   16320#        200#         7700#         1#      B-   3638#       201#      219 017520#        215#
+  51  135   84  219 Po    x   12681.361      15.835      7713.3340     0.0723  B-   2285.3395    16.1628  219 013614.000      17.000
+  49  134   85  219 At        10396.021       3.237      7720.1970     0.0148  B-   1566.6838     2.9473  219 011160.587       3.474
+  47  133   86  219 Rn         8829.337       2.100      7723.7784     0.0096  B-    212.3984     6.8938  219 009478.683       2.254
+  45  132   87  219 Fr   -a    8616.939       6.874      7721.1759     0.0314  B-   -776.9137     9.5906  219 009250.664       7.380
+  43  131   88  219 Ra   -a    9393.853       6.814      7714.0560     0.0311  B-  -2175.7005    51.9016  219 010084.715       7.315
+  41  130   89  219 Ac   -a   11569.553      51.477      7700.5489     0.2351  B-  -2893.2268    76.3627  219 012420.425      55.263
+  39  129   90  219 Th   -a   14462.780      56.460      7683.7655     0.2578  B-  -4120.4434    89.7010  219 015526.432      60.611
+  37  128   91  219 Pa   -a   18583.223      69.705      7661.3783     0.3183  B-  -4712.7298    70.9693  219 019949.909      74.831
+  35  127   92  219 U    -a   23295.953      13.338      7636.2867     0.0609  B-  -6140.9976    92.9309  219 025009.233      14.319
+  33  126   93  219 Np   -a   29436.951      91.969      7604.6732     0.4199  B-      *                  219 031601.865      98.732
+0 56  138   82  220 Pb    x   24130#        400#         7670#         2#      B-   3171#       500#      220 025905#        429#
+  54  137   83  220 Bi    x   20960#        300#         7681#         1#      B-   5696#       300#      220 022501#        322#
+  52  136   84  220 Po    x   15263.462      17.698      7703.2244     0.0804  B-    887.7139    22.5491  220 016386.000      19.000
+  50  135   85  220 At    x   14375.748      13.972      7703.7033     0.0635  B-   3763.7550    14.0896  220 015433.000      15.000
+  48  134   86  220 Rn        10611.994       1.814      7717.2552     0.0082  B-   -870.3384     4.0256  220 011392.443       1.947
+  46  133   87  220 Fr   -a   11482.332       4.028      7709.7430     0.0183  B-   1210.2406     8.4809  220 012326.789       4.324
+  44  132   88  220 Ra   -a   10272.091       7.595      7711.6879     0.0345  B-  -3471.6640     9.6266  220 011027.542       8.153
+  42  131   89  220 Ac   -a   13743.755       6.129      7692.3515     0.0279  B-   -945.7825    14.9144  220 014754.527       6.579
+  40  130   90  220 Th   -a   14689.538      13.687      7684.4964     0.0622  B-  -5588.8595    20.0508  220 015769.866      14.693
+  38  129   91  220 Pa   -a   20278.397      14.655      7655.5364     0.0666  B-  -2735#       102#      220 021769.753      15.732
+  36  128   92  220 U    -a   23013#        101#         7640#         0#      B-  -7462#       105#      220 024706#        108#
+  34  127   93  220 Np   -a   30475.022      30.718      7602.0758     0.1396  B-      *                  220 032716.280      32.977
+0 55  138   83  221 Bi    x   24200#        300#         7668#         1#      B-   4426#       301#      221 025980#        322#
+  53  137   84  221 Po    x   19773.757      19.561      7684.4814     0.0885  B-   2991.0276    24.0390  221 021228.000      21.000
+  51  136   85  221 At    x   16782.729      13.972      7694.4754     0.0632  B-   2311.3750    15.0957  221 018017.000      15.000
+  49  135   86  221 Rn   +a   14471.354       5.714      7701.3941     0.0259  B-   1194.1032     7.2312  221 015535.637       6.134
+  47  134   87  221 Fr        13277.251       4.886      7703.2572     0.0221  B-    313.3741     6.3858  221 014253.714       5.245
+  45  133   88  221 Ra   -a   12963.877       4.630      7701.1352     0.0210  B-  -1567.1715    57.0591  221 013917.293       4.970
+  43  132   89  221 Ac   -a   14531.048      56.901      7690.5039     0.2575  B-  -2408.8773    57.4376  221 015599.721      61.086
+  41  131   90  221 Th   -a   16939.926       7.994      7676.0640     0.0362  B-  -3435.0112    59.9069  221 018185.757       8.582
+  39  130   91  221 Pa   -a   20374.937      59.380      7656.9809     0.2687  B-  -4145.0590    93.4311  221 021873.393      63.746
+  37  129   92  221 U    -a   24519.996      72.135      7634.6849     0.3264  B-  -5390#       213#      221 026323.297      77.440
+  35  128   93  221 Np    x   29910#        200#         7607#         1#      B-  -6019#       361#      221 032110#        215#
+  33  127   94  221 Pu    x   35930#        300#         7576#         1#      B-      *                  221 038572#        322#
+0 56  139   83  222 Bi    x   28950#        300#         7648#         1#      B-   6464#       303#      222 031079#        322#
+  54  138   84  222 Po    x   22486.268      40.054      7674.0054     0.1804  B-   1533.2393    43.0709  222 024140.000      43.000
+  52  137   85  222 At    x   20953.028      15.835      7677.3878     0.0713  B-   4581.0714    15.9542  222 022494.000      17.000
+  50  136   86  222 Rn        16371.957       1.944      7694.4991     0.0088  B-     -6.1461     7.7013  222 017576.017       2.086
+  48  135   87  222 Fr    x   16378.103       7.452      7690.9474     0.0336  B-   2057.8980     8.6816  222 017582.615       8.000
+  46  134   88  222 Ra        14320.205       4.454      7696.6931     0.0201  B-  -2301.5922     6.2737  222 015373.371       4.781
+  44  133   89  222 Ac   -a   16621.797       4.699      7682.8015     0.0212  B-   -581.2415    11.1289  222 017844.232       5.044
+  42  132   90  222 Th   -a   17203.039      10.216      7676.6592     0.0460  B-  -4861.3220    87.1915  222 018468.220      10.966
+  40  131   91  222 Pa   -a   22064.361      86.606      7651.2373     0.3901  B-  -2208.4729   101.0129  222 023687.064      92.975
+  38  130   92  222 U    -a   24272.834      51.994      7637.7651     0.2342  B-  -7001.8072    64.4300  222 026057.957      55.817
+  36  129   93  222 Np   -a   31274.641      38.051      7602.7013     0.1714  B-  -3785#       302#      222 033574.706      40.849
+  34  128   94  222 Pu    x   35060#        300#         7582#         1#      B-      *                  222 037638#        322#
+0 57  140   83  223 Bi    x   32240#        400#         7636#         2#      B-   5161#       445#      223 034611#        429#
+  55  139   84  223 Po    x   27079#        196#         7655#         1#      B-   3651#       196#      223 029070#        210#
+  53  138   85  223 At    x   23428.008      13.972      7668.0557     0.0627  B-   3038.2698    16.0129  223 025151.000      15.000
+  51  137   86  223 Rn        20389.738       7.822      7678.1720     0.0351  B-   2007.4091     8.0568  223 021889.283       8.397
+  49  136   87  223 Fr        18382.329       1.931      7683.6655     0.0087  B-   1149.0844     0.8476  223 019734.241       2.073
+  47  135   88  223 Ra        17233.245       2.090      7685.3101     0.0094  B-   -591.8099     6.9657  223 018500.648       2.243
+  45  134   89  223 Ac   -a   17825.055       6.947      7679.1479     0.0312  B-  -1560.3471    10.4712  223 019135.982       7.457
+  43  133   90  223 Th   -a   19385.402       7.943      7668.6426     0.0356  B-  -2952.2124    76.0305  223 020811.083       8.527
+  41  132   91  223 Pa   -a   22337.614      75.632      7651.8957     0.3392  B-  -3707.6637    95.9225  223 023980.414      81.193
+  39  131   92  223 U    -a   26045.278      59.054      7631.7611     0.2648  B-  -4613.3046   101.7520  223 027960.754      63.396
+  37  130   93  223 Np   -a   30658.583      82.863      7607.5654     0.3716  B-  -5462#       311#      223 032913.340      88.956
+  35  129   94  223 Pu    x   36121#        300#         7580#         1#      B-  -6579#       424#      223 038777#        322#
+  33  128   95  223 Am    x   42700#        300#         7547#         1#      B-      *                  223 045840#        322#
+0 58  141   83  224 Bi    x   37070#        400#         7616#         2#      B-   7159#       445#      224 039796#        429#
+  56  140   84  224 Po    x   29910#        196#         7644#         1#      B-   2199#       197#      224 032110#        210#
+  54  139   85  224 At    x   27711.018      22.356      7650.7354     0.0998  B-   5265.9197    24.4153  224 029749.000      24.000
+  52  138   86  224 Rn        22445.098       9.814      7670.7514     0.0438  B-    696.4840    14.8750  224 024095.803      10.536
+  50  137   87  224 Fr    x   21748.614      11.178      7670.3680     0.0499  B-   2922.7819    11.3237  224 023348.096      12.000
+  48  136   88  224 Ra        18825.832       1.811      7679.9236     0.0081  B-  -1408.3152     4.0869  224 020210.361       1.944
+  46  135   89  224 Ac   -a   20234.148       4.089      7670.1438     0.0183  B-    238.5672    10.3428  224 021722.249       4.389
+  44  134   90  224 Th   -a   19995.581       9.604      7667.7162     0.0429  B-  -3866.7705    12.1339  224 021466.137      10.310
+  42  133   91  224 Pa   -a   23862.351       7.587      7646.9612     0.0339  B-  -1880.3393    16.9711  224 025617.286       8.145
+  40  132   92  224 U    -a   25742.690      15.261      7635.0742     0.0681  B-  -6289.5572    32.7036  224 027635.913      16.383
+  38  131   93  224 Np        32032.248      28.925      7603.5032     0.1291  B-  -3248#       301#      224 034388.030      31.052
+  36  130   94  224 Pu    x   35280#        300#         7586#         1#      B-  -7980#       500#      224 037875#        322#
+  34  129   95  224 Am    x   43260#        400#         7546#         2#      B-      *                  224 046442#        429#
+0 57  141   84  225 Po    x   34580#        300#         7626#         1#      B-   4280#       424#      225 037123#        322#
+  55  140   85  225 At    x   30300#        300#         7641#         1#      B-   3765#       300#      225 032528#        322#
+  53  139   86  225 Rn        26534.143      11.140      7654.3581     0.0495  B-   2713.5412    16.3492  225 028485.572      11.958
+  51  138   87  225 Fr        23820.602      11.967      7662.9412     0.0532  B-   1827.5584    12.1574  225 025572.466      12.847
+  49  137   88  225 Ra        21993.044       2.596      7667.5866     0.0115  B-    355.7386     5.0067  225 023610.502       2.786
+  47  136   89  225 Ac        21637.305       4.758      7665.6906     0.0211  B-   -672.8878     6.6576  225 023228.601       5.107
+  45  135   90  225 Th   -a   22310.193       5.093      7659.2229     0.0226  B-  -2046.4473    82.0038  225 023950.975       5.467
+  43  134   91  225 Pa   -a   24356.640      81.867      7646.6504     0.3639  B-  -3015.3610    82.4514  225 026147.927      87.887
+  41  133   92  225 U    -a   27372.001       9.934      7629.7717     0.0442  B-  -4246.0969    92.1491  225 029385.050      10.664
+  39  132   93  225 Np   -a   31618.098      91.618      7607.4231     0.4072  B-  -4682#       314#      225 033943.422      98.355
+  37  131   94  225 Pu    x   36300#        300#         7583#         1#      B-  -6090#       500#      225 038970#        322#
+  35  130   95  225 Am    x   42390#        400#         7553#         2#      B-      *                  225 045508#        429#
+0 58  142   84  226 Po    x   37549#        401#         7614#         2#      B-   2889#       500#      226 040310#        430#
+  56  141   85  226 At    x   34660#        300#         7624#         1#      B-   5913#       300#      226 037209#        322#
+  54  140   86  226 Rn        28747.194      10.477      7646.4108     0.0464  B-   1226.6542    12.1895  226 030861.380      11.247
+  52  139   87  226 Fr        27520.539       6.230      7648.3768     0.0276  B-   3852.9638     6.5215  226 029544.512       6.688
+  50  138   88  226 Ra        23667.576       1.927      7661.9636     0.0085  B-   -641.6252     3.2730  226 025408.186       2.068
+  48  137   89  226 Ac        24309.201       3.100      7655.6628     0.0137  B-   1111.5517     4.5626  226 026096.999       3.327
+  46  136   90  226 Th        23197.649       4.481      7657.1195     0.0198  B-  -2835.9504    11.9702  226 024903.699       4.810
+  44  135   91  226 Pa   -a   26033.600      11.213      7641.1093     0.0496  B-  -1295.1978    15.6747  226 027948.217      12.037
+  42  134   92  226 U    -a   27328.797      11.071      7631.9166     0.0490  B-  -5488.0792   102.6485  226 029338.669      11.884
+  40  133   93  226 Np   -a   32816.877     102.063      7604.1714     0.4516  B-  -2813#       225#      226 035230.364     109.568
+  38  132   94  226 Pu    x   35630#        200#         7588#         1#      B-  -7340#       361#      226 038250#        215#
+  36  131   95  226 Am    x   42970#        300#         7552#         1#      B-      *                  226 046130#        322#
+0 59  143   84  227 Po    x   42281#        401#         7596#         2#      B-   4850#       500#      227 045390#        430#
+  57  142   85  227 At    x   37430#        300#         7613#         1#      B-   4544#       300#      227 040183#        322#
+  55  141   86  227 Rn        32885.835      14.091      7630.0508     0.0621  B-   3203.3894    15.2755  227 035304.393      15.127
+  53  140   87  227 Fr        29682.445       5.898      7640.7162     0.0260  B-   2504.9813     6.2112  227 031865.413       6.332
+  51  139   88  227 Ra   -n   27177.464       1.946      7648.3048     0.0086  B-   1327.9489     2.2622  227 029176.205       2.089
+  49  138   89  227 Ac        25849.515       1.926      7650.7084     0.0085  B-     44.7559     0.8297  227 027750.594       2.068
+  47  137   90  227 Th        25804.759       2.088      7647.4591     0.0092  B-  -1025.6117     7.2815  227 027702.546       2.241
+  45  136   91  227 Pa   -a   26830.371       7.263      7639.4945     0.0320  B-  -2214.6629    11.1118  227 028803.586       7.797
+  43  135   92  227 U    -a   29045.034       8.510      7626.2918     0.0375  B-  -3533.9848    77.4417  227 031181.124       9.136
+  41  134   93  227 Np   -a   32579.018      76.989      7607.2771     0.3392  B-  -4191#       126#      227 034975.012      82.651
+  39  133   94  227 Pu    x   36770#        100#         7585#         0#      B-  -5410#       224#      227 039474#        107#
+  37  132   95  227 Am    x   42180#        200#         7558#         1#      B-      *                  227 045282#        215#
+0 58  143   85  228 At    x   41880#        400#         7596#         2#      B-   6637#       400#      228 044960#        429#
+  56  142   86  228 Rn        35243.466      17.677      7621.6457     0.0775  B-   1859.2451    18.9157  228 037835.415      18.977
+  54  141   87  228 Fr        33384.221       6.732      7626.3689     0.0295  B-   4444.0270     7.0210  228 035839.433       7.226
+  52  140   88  228 Ra   +a   28940.194       1.995      7642.4289     0.0088  B-     45.5402     0.6344  228 031068.574       2.141
+  50  139   89  228 Ac    -   28894.654       2.093      7639.1973     0.0092  B-   2123.7545     2.6446  228 031019.685       2.247
+  48  138   90  228 Th        26770.899       1.806      7645.0807     0.0079  B-  -2152.6993     4.3399  228 028739.741       1.938
+  46  137   91  228 Pa   -a   28923.599       4.340      7632.2076     0.0190  B-   -296.4020    14.0858  228 031050.758       4.659
+  44  136   92  228 U    -a   29220.001      13.474      7627.4763     0.0591  B-  -4605#       101#      228 031368.959      14.465
+  42  135   93  228 Np   -a   33825#        100#         7604#         0#      B-  -2283#       103#      228 036313#        108#
+  40  134   94  228 Pu   -a   36107.809      23.352      7590.4039     0.1024  B-  -6742#       202#      228 038763.325      25.069
+  38  133   95  228 Am    x   42850#        200#         7557#         1#      B-      *                  228 046001#        215#
+0 59  144   85  229 At    x   44890#        400#         7585#         2#      B-   5527#       400#      229 048191#        429#
+  57  143   86  229 Rn    x   39362.400      13.041      7605.6227     0.0569  B-   3694.1465    13.9670  229 042257.272      14.000
+  55  142   87  229 Fr        35668.253       5.001      7618.3380     0.0218  B-   3106.2907    16.2305  229 038291.443       5.368
+  53  141   88  229 Ra    x   32561.963      15.441      7628.4862     0.0674  B-   1872.0266    19.6229  229 034956.703      16.576
+  51  140   89  229 Ac    x   30689.936      12.109      7633.2446     0.0529  B-   1104.4191    12.3458  229 032947.000      13.000
+  49  139   90  229 Th        29585.517       2.404      7634.6510     0.0105  B-   -311.3310     3.7152  229 031761.357       2.581
+  47  138   91  229 Pa        29896.848       3.280      7629.8752     0.0143  B-  -1313.7716     6.6554  229 032095.585       3.521
+  45  137   92  229 U    -a   31210.620       5.938      7620.7218     0.0259  B-  -2590.7577   101.3342  229 033505.976       6.374
+  43  136   93  229 Np   -a   33801.378     101.177      7605.9921     0.4418  B-  -3593.5462   117.9433  229 036287.269     108.618
+  41  135   94  229 Pu   -a   37394.924      60.633      7586.8834     0.2648  B-  -4785.4899   122.4147  229 040145.099      65.092
+  39  134   95  229 Am   -a   42180.414     106.348      7562.5697     0.4644  B-      *                  229 045282.534     114.169
+0 58  144   86  230 Rn    x   42170#        200#         7595#         1#      B-   2683#       200#      230 045271#        215#
+  56  143   87  230 Fr        39486.769       6.541      7603.7052     0.0284  B-   4970.4627    12.1984  230 042390.787       7.022
+  54  142   88  230 Ra    x   34516.306      10.296      7621.9144     0.0448  B-    677.9196    18.8884  230 037054.776      11.053
+  52  141   89  230 Ac    x   33838.386      15.835      7621.4604     0.0689  B-   2975.8745    15.8815  230 036327.000      17.000
+  50  140   90  230 Th        30862.512       1.209      7630.9974     0.0053  B-  -1311.0313     2.8334  230 033132.267       1.297
+  48  139   91  230 Pa        32173.543       3.038      7621.8958     0.0132  B-    558.5262     4.5919  230 034539.717       3.261
+  46  138   92  230 U    -a   31615.017       4.509      7620.9227     0.0196  B-  -3621.5986    55.1683  230 033940.114       4.841
+  44  137   93  230 Np   -a   35236.615      55.007      7601.7751     0.2392  B-  -1695.5543    56.8505  230 037828.060      59.051
+  42  136   94  230 Pu   -a   36932.170      14.451      7591.0016     0.0628  B-  -5940#       144#      230 039648.313      15.514
+  40  135   95  230 Am   -a   42872#        143#         7562#         1#      B-      *                  230 046025#        153#
+0 59  145   86  231 Rn    x   46550#        300#         7579#         1#      B-   4469#       300#      231 049973#        322#
+  57  144   87  231 Fr    x   42080.575       7.731      7594.5009     0.0335  B-   3864.0868    13.7495  231 045175.353       8.300
+  55  143   88  231 Ra        38216.488      11.370      7607.8418     0.0492  B-   2453.6351    17.3014  231 041027.085      12.206
+  53  142   89  231 Ac    x   35762.853      13.041      7615.0768     0.0565  B-   1947.0425    13.0976  231 038393.000      14.000
+  51  141   90  231 Th        33815.811       1.217      7620.1188     0.0053  B-    391.4727     1.4598  231 036302.764       1.306
+  49  140   91  231 Pa        33424.338       1.771      7618.4267     0.0077  B-   -381.6138     2.0325  231 035882.500       1.901
+  47  139   92  231 U    -a   33805.952       2.670      7613.3879     0.0116  B-  -1817.7347    51.1839  231 036292.180       2.866
+  45  138   93  231 Np   -a   35623.686      51.154      7602.1321     0.2214  B-  -2684.8905    55.6931  231 038243.598      54.916
+  43  137   94  231 Pu   -a   38308.577      22.061      7587.1224     0.0955  B-  -4101#       301#      231 041125.946      23.683
+  41  136   95  231 Am    x   42410#        300#         7566#         1#      B-  -4860#       424#      231 045529#        322#
+  39  135   96  231 Cm    x   47270#        300#         7542#         1#      B-      *                  231 050746#        322#
+0 58  145   87  232 Fr    x   46072.834      13.972      7579.3481     0.0602  B-   5575.8791    16.7023  232 049461.219      15.000
+  56  144   88  232 Ra        40496.955       9.151      7600.0099     0.0394  B-   1342.5322    15.9313  232 043475.267       9.823
+  54  143   89  232 Ac    x   39154.423      13.041      7602.4245     0.0562  B-   3707.7131    13.1181  232 042034.000      14.000
+  52  142   90  232 Th        35446.710       1.421      7615.0338     0.0061  B-   -499.8388     7.7338  232 038053.606       1.525
+  50  141   91  232 Pa    +   35946.549       7.645      7609.5072     0.0330  B-   1337.1034     7.4278  232 038590.205       8.206
+  48  140   92  232 U         34609.445       1.808      7611.8984     0.0078  B-  -2750#       100#      232 037154.765       1.941
+  46  139   93  232 Np    -   37359#        100#         7597#         0#      B-  -1001#       101#      232 040107#        107#
+  44  138   94  232 Pu   -a   38360.915      16.885      7588.9839     0.0728  B-  -5059#       300#      232 041182.133      18.126
+  42  137   95  232 Am    x   43420#        300#         7564#         1#      B-  -2913#       361#      232 046613#        322#
+  40  136   96  232 Cm   -a   46333#        201#         7548#         1#      B-      *                  232 049740#        216#
+0 59  146   87  233 Fr    x   48920.052      19.561      7569.2398     0.0840  B-   4585.9906    21.3694  233 052517.833      21.000
+  57  145   88  233 Ra        44334.062       8.603      7585.5644     0.0369  B-   3026.0244    15.6228  233 047594.570       9.235
+  55  144   89  233 Ac    x   41308.037      13.041      7595.1939     0.0560  B-   2576.3950    13.1184  233 044346.000      14.000
+  53  143   90  233 Th        38731.642       1.424      7602.8937     0.0061  B-   1242.2320     1.1224  233 041580.126       1.528
+  51  142   91  233 Pa        37489.410       1.336      7604.8675     0.0057  B-    570.2993     1.9750  233 040246.535       1.433
+  49  141   92  233 U         36919.111       2.254      7603.9574     0.0097  B-  -1029.4197    51.0050  233 039634.294       2.420
+  47  140   93  233 Np   -a   37948.531      50.981      7596.1816     0.2188  B-  -2103.3047    74.3811  233 040739.421      54.729
+  45  139   94  233 Pu   -a   40051.836      54.178      7583.7968     0.2325  B-  -3233#       126#      233 042997.411      58.162
+  43  138   95  233 Am   -a   43285#        114#         7567#         0#      B-  -4008#       140#      233 046468#        123#
+  41  137   96  233 Cm   -a   47293.340      81.095      7546.0020     0.3480  B-  -5478#       247#      233 050771.485      87.059
+  39  136   97  233 Bk   -a   52771#        233#         7519#         1#      B-      *                  233 056652#        250#
+0 58  146   88  234 Ra    x   46930.629       8.383      7576.5439     0.0358  B-   2089.4348    16.2945  234 050382.100       9.000
+  56  145   89  234 Ac    x   44841.195      13.972      7582.1297     0.0597  B-   4228.2364    14.2103  234 048139.000      15.000
+  54  144   90  234 Th   +a   40612.958       2.589      7596.8557     0.0111  B-    274.0882     3.1716  234 043599.801       2.779
+  52  143   91  234 Pa   IT   40338.870       4.094      7594.6837     0.0175  B-   2193.9105     3.9998  234 043305.555       4.395
+  50  142   92  234 U         38144.959       1.129      7600.7160     0.0048  B-  -1809.8462     8.3205  234 040950.296       1.212
+  48  141   93  234 Np    -   39954.806       8.397      7589.6382     0.0359  B-   -395.1807    10.7522  234 042893.245       9.014
+  46  140   94  234 Pu   -a   40349.986       6.798      7584.6061     0.0291  B-  -4112#       160#      234 043317.489       7.298
+  44  139   95  234 Am   -a   44462#        160#         7564#         1#      B-  -2261#       161#      234 047731#        172#
+  42  138   96  234 Cm   -a   46722.411      17.078      7550.6868     0.0730  B-  -6673#       154#      234 050158.568      18.333
+  40  137   97  234 Bk   -a   53395#        153#         7519#         1#      B-      *                  234 057322#        164#
+0 59  147   88  235 Ra    x   51130#        300#         7561#         1#      B-   3773#       300#      235 054890#        322#
+  57  146   89  235 Ac    x   47357.160      13.972      7573.5051     0.0595  B-   3339.4064    19.1127  235 050840.000      15.000
+  55  145   90  235 Th    x   44017.754      13.041      7584.3862     0.0555  B-   1728.8531    19.1127  235 047255.000      14.000
+  53  144   91  235 Pa    x   42288.901      13.972      7588.4139     0.0595  B-   1370.1184    14.0169  235 045399.000      15.000
+  51  143   92  235 U         40918.782       1.116      7590.9151     0.0048  B-   -124.2619     0.8524  235 043928.117       1.198
+  49  142   93  235 Np        41043.044       1.388      7587.0571     0.0059  B-  -1139.3021    20.4992  235 044061.518       1.490
+  47  141   94  235 Pu   -a   42182.346      20.521      7578.8799     0.0873  B-  -2442.2558    56.5932  235 045284.609      22.030
+  45  140   95  235 Am   -a   44624.602      52.780      7565.1582     0.2246  B-  -3389#       115#      235 047906.478      56.661
+  43  139   96  235 Cm   -a   48013#        102#         7547#         0#      B-  -4757#       413#      235 051545#        110#
+  41  138   97  235 Bk    x   52770#        401#         7524#         2#      B-      *                  235 056651#        430#
+0 58  147   89  236 Ac    x   51220.998      38.191      7559.2423     0.1618  B-   4965.7951    40.6669  236 054988.000      41.000
+  56  146   90  236 Th    x   46255.203      13.972      7576.9688     0.0592  B-    921.2477    19.7600  236 049657.000      15.000
+  54  145   91  236 Pa    x   45333.955      13.972      7577.5573     0.0592  B-   2889.3730    14.0166  236 048668.000      15.000
+  52  144   92  236 U         42444.582       1.112      7586.4854     0.0047  B-   -933.5116    50.4152  236 045566.130       1.193
+  50  143   93  236 Np   IT   43378.094      50.421      7579.2148     0.2136  B-    476.5854    50.3887  236 046568.296      54.129
+  48  142   94  236 Pu        42901.508       1.810      7577.9192     0.0077  B-  -3139#       119#      236 046056.661       1.942
+  46  141   95  236 Am   -a   46041#        119#         7561#         1#      B-  -1812#       120#      236 049427#        127#
+  44  140   96  236 Cm   -a   47852.820      17.635      7550.3090     0.0747  B-  -5689#       361#      236 051372.112      18.931
+  42  139   97  236 Bk   -a   53542#        361#         7523#         2#      B-      *                  236 057479#        387#
+0 59  148   89  237 Ac    x   54020#        400#         7550#         2#      B-   4065#       400#      237 057993#        429#
+  57  147   90  237 Th    x   49955.097      15.835      7563.4433     0.0668  B-   2427.4736    20.5140  237 053629.000      17.000
+  55  146   91  237 Pa    x   47527.624      13.041      7570.3847     0.0550  B-   2137.4905    13.0962  237 051023.000      14.000
+  53  145   92  237 U         45390.133       1.202      7576.1026     0.0051  B-    518.5338     0.5200  237 048728.309       1.290
+  51  144   93  237 Np        44871.599       1.120      7574.9895     0.0047  B-   -220.0630     1.2944  237 048171.640       1.201
+  49  143   94  237 Pu        45091.662       1.697      7570.7599     0.0072  B-  -1478#        59#      237 048407.888       1.821
+  47  142   95  237 Am   -a   46570#         59#         7561#         0#      B-  -2677#        95#      237 049995#         64#
+  45  141   96  237 Cm   -a   49247.151      74.399      7546.6241     0.3139  B-  -3963#       242#      237 052868.988      79.870
+  43  140   97  237 Bk   -a   53210#        230#         7527#         1#      B-  -4728#       250#      237 057123#        247#
+  41  139   98  237 Cf   -a   57938.255      97.347      7503.3507     0.4107  B-      *                  237 062199.272     104.506
+0 58  148   90  238 Th   +a   52525#        283#         7555#         1#      B-   1631#       284#      238 056388#        304#
+  56  147   91  238 Pa    x   50894.043      15.835      7558.3449     0.0665  B-   3586.3111    15.9056  238 054637.000      17.000
+  54  146   92  238 U         47307.732       1.492      7570.1262     0.0063  B-   -146.8652     1.2006  238 050786.936       1.601
+  52  145   93  238 Np   -n   47454.597       1.137      7566.2220     0.0048  B-   1291.4491     0.4573  238 050944.603       1.220
+  50  144   94  238 Pu        46163.148       1.138      7568.3611     0.0048  B-  -2258.2731    58.9005  238 049558.175       1.221
+  48  143   95  238 Am   -a   48421.421      58.911      7555.5853     0.2475  B-  -1023.7818    60.1587  238 051982.531      63.243
+  46  142   96  238 Cm   -a   49445.203      12.234      7547.9966     0.0514  B-  -4771#       256#      238 053081.606      13.133
+  44  141   97  238 Bk   -a   54216#        256#         7525#         1#      B-  -3061#       393#      238 058204#        275#
+  42  140   98  238 Cf    x   57278#        298#         7509#         1#      B-      *                  238 061490#        320#
+0 59  149   90  239 Th    x   56500#        400#         7540#         2#      B-   3162#       445#      239 060655#        429#
+  57  148   91  239 Pa    x   53337#        196#         7550#         1#      B-   2765#       196#      239 057260#        210#
+  55  147   92  239 U    -n   50572.668       1.502      7558.5624     0.0063  B-   1261.6634     1.4935  239 054291.989       1.612
+  53  146   93  239 Np        49311.005       1.310      7560.5680     0.0055  B-    722.7849     0.9304  239 052937.538       1.406
+  51  145   94  239 Pu        48588.220       1.112      7560.3187     0.0047  B-   -802.1402     1.6635  239 052161.596       1.194
+  49  144   95  239 Am   -a   49390.360       1.982      7553.6891     0.0083  B-  -1756.6021   150.0740  239 053022.729       2.127
+  47  143   96  239 Cm   -a   51146.962     150.070      7543.0659     0.6279  B-  -3103#       256#      239 054908.519     161.107
+  45  142   97  239 Bk   -a   54250#        207#         7527#         1#      B-  -3952#       239#      239 058239#        222#
+  43  141   98  239 Cf   -a   58202#        120#         7507#         1#      B-  -5429#       323#      239 062482#        129#
+  41  140   99  239 Es    x   63630#        300#         7481#         1#      B-      *                  239 068310#        322#
+0 58  149   91  240 Pa    x   57010#        200#         7537#         1#      B-   4295#       200#      240 061203#        215#
+  56  148   92  240 U         52715.497       2.553      7551.7705     0.0106  B-    399.2685    17.0830  240 056592.411       2.740
+  54  147   93  240 Np        52316.229      17.032      7550.1743     0.0710  B-   2190.9095    17.0151  240 056163.778      18.284
+  52  146   94  240 Pu        50125.319       1.105      7556.0433     0.0046  B-  -1384.7902    13.7882  240 053811.740       1.186
+  50  145   95  240 Am   +n   51510.110      13.832      7547.0136     0.0576  B-   -214.1127    13.8967  240 055298.374      14.849
+  48  144   96  240 Cm        51724.222       1.905      7542.8617     0.0079  B-  -3940#       150#      240 055528.233       2.045
+  46  143   97  240 Bk    -   55664#        150#         7523#         1#      B-  -2324#       151#      240 059758#        161#
+  44  142   98  240 Cf   -a   57988.719      18.034      7510.2400     0.0751  B-  -6237#       366#      240 062253.447      19.360
+  42  141   99  240 Es   -a   64225#        366#         7481#         2#      B-      *                  240 068949#        393#
+0 59  150   91  241 Pa    x   59740#        300#         7528#         1#      B-   3543#       358#      241 064134#        322#
+  57  149   92  241 U     x   56197#        196#         7539#         1#      B-   1882#       220#      241 060330#        210#
+  55  148   93  241 Np    +   54315.115     100.006      7544.0426     0.4150  B-   1360.0000   100.0000  241 058309.671     107.360
+  53  147   94  241 Pu        52955.115       1.105      7546.4395     0.0046  B-     20.7799     0.1658  241 056849.651       1.186
+  51  146   95  241 Am        52934.335       1.113      7543.2795     0.0046  B-   -767.4346     1.1685  241 056827.343       1.195
+  49  145   96  241 Cm        53701.770       1.607      7536.8488     0.0067  B-  -2279#       165#      241 057651.218       1.725
+  47  144   97  241 Bk   +a   55981#        165#         7524#         1#      B-  -3346#       235#      241 060098#        178#
+  45  143   98  241 Cf   -a   59327#        167#         7507#         1#      B-  -4567#       285#      241 063690#        180#
+  43  142   99  241 Es   -a   63893#        231#         7485#         1#      B-  -5327#       379#      241 068592#        248#
+  41  141  100  241 Fm    x   69220#        300#         7459#         1#      B-      *                  241 074311#        322#
+0 58  150   92  242 U    +a   58620#        201#         7532#         1#      B-   1203#       283#      242 062931#        215#
+  56  149   93  242 Np    +   57416.876     200.004      7533.4042     0.8265  B-   2700.0000   200.0000  242 061639.548     214.712
+  54  148   94  242 Pu        54716.876       1.245      7541.3284     0.0052  B-   -751.1373     0.7080  242 058740.979       1.336
+  52  147   95  242 Am   -n   55468.014       1.118      7534.9917     0.0046  B-    664.3145     0.4143  242 059547.358       1.199
+  50  146   96  242 Cm        54803.699       1.141      7534.5040     0.0047  B-  -2948#       135#      242 058834.187       1.224
+  48  145   97  242 Bk   IT   57752#        135#         7519#         1#      B-  -1635#       135#      242 061999#        144#
+  46  144   98  242 Cf   -a   59386.982      12.892      7509.0991     0.0533  B-  -5414#       257#      242 063754.544      13.840
+  44  143   99  242 Es   -a   64801#        257#         7483#         1#      B-  -3598#       476#      242 069567#        276#
+  42  142  100  242 Fm    x   68400#        401#         7465#         2#      B-      *                  242 073430#        430#
+0 59  151   92  243 U     x   62480#        300#         7518#         1#      B-   2674#       302#      243 067075#        322#
+  57  150   93  243 Np   IT   59806#         32#         7526#         0#      B-   2051#        32#      243 064204#         34#
+  55  149   94  243 Pu        57754.561       2.542      7531.0087     0.0105  B-    579.5559     2.6216  243 062002.068       2.728
+  53  148   95  243 Am        57175.005       1.388      7530.1742     0.0057  B-     -6.9302     1.5692  243 061379.889       1.490
+  51  147   96  243 Cm   -a   57181.936       1.496      7526.9261     0.0062  B-  -1507.6936     4.5065  243 061387.329       1.605
+  49  146   97  243 Bk   -a   58689.629       4.524      7517.5021     0.0186  B-  -2300#       181#      243 063005.905       4.856
+  47  145   98  243 Cf   -a   60990#        181#         7505#         1#      B-  -3757#       275#      243 065475#        194#
+  45  144   99  243 Es   -a   64747#        207#         7486#         1#      B-  -4569#       245#      243 069508#        222#
+  43  143  100  243 Fm   -a   69316#        130#         7464#         1#      B-      *                  243 074414#        140#
+0 58  151   93  244 Np    x   63240#        100#         7514#         0#      B-   3434#       100#      244 067891#        107#
+  56  150   94  244 Pu        59806.021       2.346      7524.8154     0.0096  B-    -73.1143     2.6856  244 064204.401       2.518
+  54  149   95  244 Am    +   59879.135       1.491      7521.3095     0.0061  B-   1427.3000     1.0000  244 064282.892       1.600
+  52  148   96  244 Cm   -a   58451.835       1.106      7523.9527     0.0045  B-  -2261.9902    14.3567  244 062750.622       1.187
+  50  147   97  244 Bk   -a   60713.825      14.399      7511.4759     0.0590  B-   -764.2709    14.5724  244 065178.969      15.457
+  48  146   98  244 Cf        61478.096       2.617      7505.1373     0.0107  B-  -4547#       181#      244 065999.447       2.809
+  46  145   99  244 Es   -a   66026#        181#         7483#         1#      B-  -2938#       271#      244 070881#        195#
+  44  144  100  244 Fm   -a   68964#        201#         7468#         1#      B-  -6634#       425#      244 074036#        216#
+  42  143  101  244 Md   -a   75597#        374#         7438#         2#      B-      *                  244 081157#        402#
+0 59  152   93  245 Np    x   65850#        200#         7506#         1#      B-   2672#       201#      245 070693#        215#
+  57  151   94  245 Pu   -n   63178.173      13.620      7513.2822     0.0556  B-   1277.7559    13.7334  245 067824.554      14.621
+  55  150   95  245 Am   +a   61900.417       1.886      7515.3043     0.0077  B-    895.8929     1.5491  245 066452.827       2.024
+  53  149   96  245 Cm        61004.524       1.149      7515.7677     0.0047  B-   -809.2519     1.4964  245 065491.047       1.233
+  51  148   97  245 Bk   -a   61813.776       1.792      7509.2714     0.0073  B-  -1571.3755     2.5861  245 066359.814       1.923
+  49  147   98  245 Cf        63385.151       2.428      7499.6644     0.0099  B-  -2930#       165#      245 068046.755       2.606
+  47  146   99  245 Es   IT   66315#        165#         7485#         1#      B-  -3877#       256#      245 071192#        178#
+  45  145  100  245 Fm   -a   70192#        195#         7465#         1#      B-  -5133#       325#      245 075354#        210#
+  43  144  101  245 Md   -a   75325#        260#         7441#         1#      B-      *                  245 080864#        279#
+0 58  152   94  246 Pu        65394.772      14.985      7506.5401     0.0609  B-    401#        14#      246 070204.172      16.087
+  56  151   95  246 Am   IT   64994#         18#         7505#         0#      B-   2377#        18#      246 069774#         19#
+  54  150   96  246 Cm        62616.912       1.525      7511.4716     0.0062  B-  -1350.0000    60.0000  246 067222.016       1.637
+  52  149   97  246 Bk    -   63966.912      60.019      7502.8035     0.2440  B-   -123.3159    60.0198  246 068671.300      64.433
+  50  148   98  246 Cf        64090.228       1.514      7499.1220     0.0062  B-  -3728.5741    89.9373  246 068803.685       1.625
+  48  147   99  246 Es        67818.802      89.925      7480.7849     0.3655  B-  -2372.3848    90.9577  246 072806.474      96.538
+  46  146  100  246 Fm   -a   70191.187      13.670      7467.9608     0.0556  B-  -5924#       260#      246 075353.334      14.675
+  44  145  101  246 Md   -a   76115#        260#         7441#         1#      B-      *                  246 081713#        279#
+0 59  153   94  247 Pu    x   69210#        200#         7493#         1#      B-   2057#       224#      247 074300#        215#
+  57  152   95  247 Am    +   67153#        100#         7499#         0#      B-   1620#       100#      247 072092#        107#
+  55  151   96  247 Cm        65533.105       3.797      7501.9318     0.0154  B-     43.5841     6.3245  247 070352.678       4.076
+  53  150   97  247 Bk   -a   65489.521       5.189      7498.9408     0.0210  B-   -619.8711    15.2376  247 070305.889       5.570
+  51  149   98  247 Cf   +a   66109.392      14.327      7493.2638     0.0580  B-  -2469.0006    24.1495  247 070971.348      15.380
+  49  148   99  247 Es   +a   68578.393      19.441      7480.1005     0.0787  B-  -3094#       182#      247 073621.929      20.870
+  47  147  100  247 Fm   +a   71672#        181#         7464#         1#      B-  -4263#       275#      247 076944#        194#
+  45  146  101  247 Md   -a   75936#        207#         7444#         1#      B-      *                  247 081520#        223#
+0 58  153   95  248 Am    +   70563#        200#         7487#         1#      B-   3170#       200#      248 075752#        215#
+  56  152   96  248 Cm        67392.748       2.358      7496.7291     0.0095  B-   -738.3049    50.0026  248 072349.086       2.531
+  54  151   97  248 Bk   +a   68131.053      50.058      7490.5975     0.2018  B-    893.1015    50.3143  248 073141.689      53.739
+  52  150   98  248 Cf   -a   67237.951       5.121      7491.0440     0.0207  B-  -3061#        53#      248 072182.905       5.497
+  50  149   99  248 Es   -a   70299#         52#         7476#         0#      B-  -1599#        53#      248 075469#         56#
+  48  148  100  248 Fm        71897.793       8.497      7465.9451     0.0343  B-  -5050#       184#      248 077185.451       9.122
+  46  147  101  248 Md   -a   76948#        184#         7442#         1#      B-  -3741#       290#      248 082607#        198#
+  44  146  102  248 No   -a   80689#        224#         7424#         1#      B-      *                  248 086623#        241#
+0 59  154   95  249 Am    x   73104#        298#         7479#         1#      B-   2353#       298#      249 078480#        320#
+  57  153   96  249 Cm   -n   70750.696       2.371      7485.5510     0.0095  B-    904.3630     2.5934  249 075953.992       2.545
+  55  152   97  249 Bk    +   69846.333       1.248      7486.0410     0.0050  B-    123.6000     0.4000  249 074983.118       1.339
+  53  151   98  249 Cf        69722.733       1.182      7483.3954     0.0048  B-  -1452#        30#      249 074850.428       1.269
+  51  150   99  249 Es   -a   71175#         30#         7474#         0#      B-  -2344#        31#      249 076409#         32#
+  49  149  100  249 Fm        73519.143       6.212      7461.8649     0.0249  B-  -3661.8091   164.5418  249 078926.042       6.668
+  47  148  101  249 Md        77180.952     164.425      7444.0169     0.6603  B-  -4606#       324#      249 082857.155     176.516
+  45  147  102  249 No   -a   81787#        279#         7422#         1#      B-      *                  249 087802#        300#
+0 58  154   96  250 Cm  -nn   72989.588      10.274      7478.9385     0.0411  B-     37.5820    10.6414  250 078357.541      11.029
+  56  153   97  250 Bk   +a   72952.006       2.898      7475.9594     0.0116  B-   1781.6696     2.4561  250 078317.195       3.110
+  54  152   98  250 Cf   -a   71170.336       1.538      7479.9567     0.0062  B-  -2055#       100#      250 076404.494       1.650
+  52  151   99  250 Es    -   73225#        100#         7469#         0#      B-   -847#       100#      250 078611#        107#
+  50  150  100  250 Fm        74072.193       7.888      7462.0905     0.0316  B-  -4326.9476    91.2615  250 079519.765       8.468
+  48  149  101  250 Md        78399.140      90.920      7441.6533     0.3637  B-  -3167#       220#      250 084164.934      97.606
+  46  148  102  250 No   -a   81566#        200#         7426#         1#      B-      *                  250 087565#        215#
+0 59  155   96  251 Cm    +   76647.981      22.698      7466.7233     0.0904  B-   1420.0000    20.0000  251 082284.988      24.367
+  57  154   97  251 Bk    +   75227.981      10.734      7469.2637     0.0428  B-   1093.0000    10.0000  251 080760.555      11.523
+  55  153   98  251 Cf   -a   74134.981       3.901      7470.5014     0.0155  B-   -376.5660     6.4677  251 079587.171       4.187
+  53  152   99  251 Es   -a   74511.547       5.288      7465.8842     0.0211  B-  -1447.2610    15.2387  251 079991.431       5.676
+  51  151  100  251 Fm        75958.808      14.292      7457.0013     0.0569  B-  -3007.9406    23.7108  251 081545.130      15.342
+  49  150  101  251 Md   +a   78966.749      18.919      7441.9005     0.0754  B-  -3882#       182#      251 084774.287      20.310
+  47  149  102  251 No   IT   82849#        181#         7423#         1#      B-  -4981#       270#      251 088942#        194#
+  45  148  103  251 Lr    x   87830#        200#         7400#         1#      B-      *                  251 094289#        215#
+0 60  156   96  252 Cm    x   79056#        298#         7460#         1#      B-    521#       359#      252 084870#        320#
+  58  155   97  252 Bk    +   78535#        200#         7459#         1#      B-   2500#       200#      252 084310#        215#
+  56  154   98  252 Cf   -a   76034.610       2.358      7465.3474     0.0094  B-  -1260.0000    50.0000  252 081626.507       2.531
+  54  153   99  252 Es    -   77294.610      50.056      7457.2428     0.1986  B-    477.9998    50.3220  252 082979.173      53.736
+  52  152  100  252 Fm   -a   76816.611       5.221      7456.0351     0.0207  B-  -3650.5075    91.4356  252 082466.019       5.604
+  50  151  101  252 Md    x   80467.118      91.286      7438.4444     0.3622  B-  -2404.2523    91.7581  252 086385.000      98.000
+  48  150  102  252 No        82871.370       9.292      7425.7992     0.0369  B-  -5666#       185#      252 088966.070       9.975
+  46  149  103  252 Lr   -a   88537#        185#         7400#         1#      B-      *                  252 095048#        198#
+0 59  156   97  253 Bk   -a   80929#        359#         7451#         1#      B-   1627#       359#      253 086880#        385#
+  57  155   98  253 Cf   -a   79301.562       4.257      7454.8297     0.0168  B-    291.0753     4.3850  253 085133.723       4.570
+  55  154   99  253 Es   -a   79010.486       1.249      7452.8879     0.0049  B-   -335.0623     1.0782  253 084821.241       1.341
+  53  153  100  253 Fm   -a   79345.549       1.549      7448.4712     0.0061  B-  -1827#        31#      253 085180.945       1.662
+  51  152  101  253 Md   -a   81173#         31#         7438#         0#      B-  -3186#        32#      253 087143#         34#
+  49  151  102  253 No        84358.696       6.912      7422.4719     0.0273  B-  -4164.7752   164.6791  253 090562.780       7.420
+  47  150  103  253 Lr        88523.471     164.534      7402.9180     0.6503  B-  -5118#       442#      253 095033.850     176.634
+  45  149  104  253 Rf   -a   93642#        410#         7380#         2#      B-      *                  253 100528#        440#
+0 60  157   97  254 Bk    x   84393#        298#         7440#         1#      B-   3052#       298#      254 090600#        320#
+  58  156   98  254 Cf   -a   81341.395      11.462      7449.2259     0.0451  B-   -652.7561    11.8014  254 087323.575      12.304
+  56  155   99  254 Es   -a   81994.151       2.936      7443.5759     0.0116  B-   1091.6300     2.2858  254 088024.337       3.152
+  54  154  100  254 Fm   -a   80902.521       1.843      7444.7936     0.0073  B-  -2550#       100#      254 086852.424       1.978
+  52  153  101  254 Md    -   83453#        100#         7432#         0#      B-  -1271#       100#      254 089590#        107#
+  50  152  102  254 No        84723.312       9.658      7423.5909     0.0380  B-  -4922.5753    91.8208  254 090954.211      10.367
+  48  151  103  254 Lr   -a   89645.887      91.312      7401.1306     0.3595  B-  -3555#       298#      254 096238.813      98.026
+  46  150  104  254 Rf   -a   93201#        283#         7384#         1#      B-      *                  254 100055#        304#
+0 59  157   98  255 Cf    +   84809#        200#         7438#         1#      B-    720#       200#      255 091046#        215#
+  57  156   99  255 Es   -a   84089.237      10.817      7437.8216     0.0424  B-    288.7717    10.1024  255 090273.504      11.612
+  55  155  100  255 Fm   -a   83800.465       3.934      7435.8860     0.0154  B-  -1041.6037     6.7172  255 089963.495       4.223
+  53  154  101  255 Md   -a   84842.069       5.567      7428.7333     0.0218  B-  -1969.8648    15.1096  255 091081.702       5.976
+  51  153  102  255 No        86811.934      14.047      7417.9403     0.0551  B-  -3135.3716    22.5952  255 093196.439      15.079
+  49  152  103  255 Lr    x   89947.305      17.698      7402.5767     0.0694  B-  -4382#       182#      255 096562.399      19.000
+  47  151  104  255 Rf   -a   94329#        181#         7382#         1#      B-  -5265#       336#      255 101267#        194#
+  45  150  105  255 Db   -a   99595#        283#         7359#         1#      B-      *                  255 106919#        304#
+0 60  158   98  256 Cf   -a   87041#        314#         7432#         1#      B-   -144#       330#      256 093442#        338#
+  58  157   99  256 Es    +   87185#        100#         7428#         0#      B-   1700#       100#      256 093597#        107#
+  56  156  100  256 Fm   -a   85484.796       3.020      7431.7888     0.0118  B-  -1971#       124#      256 091771.699       3.241
+  54  155  101  256 Md   IT   87456#        124#         7421#         0#      B-   -367#       124#      256 093888#        133#
+  52  154  102  256 No   -a   87823.046       7.548      7416.5429     0.0295  B-  -3923.5573    83.2459  256 094281.912       8.103
+  50  153  103  256 Lr    x   91746.603      82.903      7398.1605     0.3238  B-  -2475.3893    84.8025  256 098494.024      89.000
+  48  152  104  256 Rf   -a   94221.992      17.848      7385.4349     0.0697  B-  -6076#       188#      256 101151.464      19.160
+  46  151  105  256 Db   -a  100298#        187#         7359#         1#      B-      *                  256 107674#        201#
+0 59  158   99  257 Es   -a   89403#        411#         7422#         2#      B-    813#       411#      257 095979#        441#
+  57  157  100  257 Fm   -a   88590.137       4.350      7422.1942     0.0169  B-   -402.3347     4.5748  257 095105.419       4.669
+  55  156  101  257 Md   -a   88992.472       1.569      7417.5845     0.0061  B-  -1254.5923     6.1695  257 095537.343       1.683
+  53  155  102  257 No   -a   90247.064       6.197      7409.6587     0.0241  B-  -2418#        45#      257 096884.203       6.652
+  51  154  103  257 Lr   -a   92665#         44#         7397#         0#      B-  -3201#        45#      257 099480#         47#
+  49  153  104  257 Rf   -a   95866.389      10.817      7381.7053     0.0421  B-  -4287.8969   164.9888  257 102916.796      11.612
+  47  152  105  257 Db       100154.285     164.634      7361.9767     0.6406  B-      *                  257 107520.042     176.741
+0 60  159   99  258 Es    x   92702#        401#         7412#         2#      B-   2276#       448#      258 099520#        430#
+  58  158  100  258 Fm   -a   90426#        200#         7418#         1#      B-  -1264#       200#      258 097077#        215#
+  56  157  101  258 Md   -a   91690.350       3.474      7409.6615     0.0135  B-    213#       100#      258 098433.634       3.729
+  54  156  102  258 No   -a   91477#        100#         7407#         0#      B-  -3304#       143#      258 098205#        107#
+  52  155  103  258 Lr   -a   94782#        102#         7392#         0#      B-  -1562#       103#      258 101753#        109#
+  50  154  104  258 Rf   -a   96344.338      16.104      7382.5257     0.0624  B-  -5163.3651    93.2584  258 103429.895      17.288
+  48  153  105  258 Db   -a  101507.703      91.857      7359.4803     0.3560  B-  -3788#       423#      258 108972.995      98.613
+  46  152  106  258 Sg   -a  105296#        413#         7342#         2#      B-      *                  258 113040#        443#
+0 59  159  100  259 Fm   -a   93704#        283#         7407#         1#      B-    140#       300#      259 100596#        304#
+  57  158  101  259 Md   -a   93564#        101#         7405#         0#      B-   -515#       101#      259 100445#        108#
+  55  157  102  259 No   -a   94079.381       6.362      7399.9714     0.0246  B-  -1771#        71#      259 100998.364       6.829
+  53  156  103  259 Lr   -a   95851#         71#         7390#         0#      B-  -2516#       101#      259 102900#         76#
+  51  155  104  259 Rf   -a   98367#         72#         7377#         0#      B-  -3624#        92#      259 105601#         78#
+  49  154  105  259 Db   -a  101991.021      56.685      7360.3626     0.2189  B-  -4528#       190#      259 109491.859      60.854
+  47  153  106  259 Sg   -a  106519#        181#         7340#         1#      B-      *                  259 114353#        194#
+0 60  160  100  260 Fm   -a   95766#        435#         7402#         2#      B-   -784#       537#      260 102809#        467#
+  58  159  101  260 Md   -a   96550#        316#         7396#         1#      B-    940#       374#      260 103650#        339#
+  56  158  102  260 No   -a   95610#        200#         7397#         1#      B-  -2667#       236#      260 102641#        215#
+  54  157  103  260 Lr   -a   98277#        125#         7383#         0#      B-   -871#       236#      260 105504#        134#
+  52  156  104  260 Rf   -a   99148#        200#         7377#         1#      B-  -4525#       221#      260 106440#        215#
+  50  155  105  260 Db   -a  103673#         93#         7357#         0#      B-  -2875#        95#      260 111297#        100#
+  48  154  106  260 Sg   -a  106547.495      20.536      7342.5632     0.0790  B-  -6576#       197#      260 114383.435      22.045
+  46  153  107  260 Bh   -a  113123#        196#         7314#         1#      B-      *                  260 121443#        211#
+0 59  160  101  261 Md   -a   98578#        509#         7391#         2#      B-    123#       547#      261 105828#        546#
+  57  159  102  261 No   -a   98455#        200#         7388#         1#      B-  -1102#       283#      261 105696#        215#
+  55  158  103  261 Lr   -a   99557#        200#         7381#         1#      B-  -1761#       211#      261 106879#        215#
+  53  157  104  261 Rf   -a  101318.233      65.663      7371.3858     0.2516  B-  -2990#       128#      261 108769.591      70.492
+  51  156  105  261 Db   -a  104308#        110#         7357#         0#      B-  -3697#       112#      261 111979#        118#
+  49  155  106  261 Sg   -a  108005.004      18.494      7339.7710     0.0709  B-  -5074.4052   180.7519  261 115948.135      19.853
+  47  154  107  261 Bh   -a  113079.410     179.803      7317.3313     0.6889  B-      *                  261 121395.733     193.026
+0 60  161  101  262 Md   -a  101667#        448#         7382#         2#      B-   1566#       575#      262 109144#        481#
+  58  160  102  262 No   -a  100101#        361#         7385#         1#      B-  -2004#       412#      262 107463#        387#
+  56  159  103  262 Lr   -a  102105#        200#         7374#         1#      B-   -287#       300#      262 109615#        215#
+  54  158  104  262 Rf   -a  102392#        224#         7370#         1#      B-  -3861#       265#      262 109923#        240#
+  52  157  105  262 Db   -a  106253#        143#         7352#         1#      B-  -2116#       145#      262 114067#        154#
+  50  156  106  262 Sg   -a  108369.072      22.167      7341.1736     0.0846  B-  -5883.0463    95.6774  262 116338.978      23.797
+  48  155  107  262 Bh   -a  114252.119      93.074      7315.7331     0.3552  B-      *                  262 122654.688      99.919
+0 59  161  102  263 No   -a  103129#        490#         7376#         2#      B-   -540#       539#      263 110714#        526#
+  57  160  103  263 Lr   -a  103669#        224#         7371#         1#      B-  -1087#       271#      263 111293#        240#
+  55  159  104  263 Rf   -a  104757#        153#         7364#         1#      B-  -2353#       227#      263 112461#        164#
+  53  158  105  263 Db   -a  107110#        168#         7352#         1#      B-  -3085#       193#      263 114987#        180#
+  51  157  106  263 Sg   -a  110195#         95#         7337#         0#      B-  -4301#       320#      263 118299#        101#
+  49  156  107  263 Bh   -a  114496#        305#         7318#         1#      B-  -5182#       363#      263 122916#        328#
+  47  155  108  263 Hs   -a  119678#        197#         7295#         1#      B-      *                  263 128479#        212#
+0 60  162  102  264 No   -a  105011#        591#         7371#         2#      B-  -1364#       734#      264 112734#        634#
+  58  161  103  264 Lr   -a  106375#        436#         7363#         2#      B-    300#       566#      264 114198#        468#
+  56  160  104  264 Rf   -a  106075#        361#         7361#         1#      B-  -3187#       431#      264 113876#        387#
+  54  159  105  264 Db   -a  109262#        236#         7346#         1#      B-  -1521#       368#      264 117297#        253#
+  52  158  106  264 Sg   -a  110783#        283#         7338#         1#      B-  -5175#       334#      264 118930#        304#
+  50  157  107  264 Bh   -a  115958#        177#         7315#         1#      B-  -3605#       180#      264 124486#        190#
+  48  156  108  264 Hs   -a  119563.165      28.881      7298.3762     0.1094  B-      *                  264 128356.330      31.005
+0 59  162  103  265 Lr   -a  108233#        547#         7359#         2#      B-   -457#       655#      265 116193#        587#
+  57  161  104  265 Rf   -a  108690#        361#         7354#         1#      B-  -1692#       424#      265 116683#        387#
+  55  160  105  265 Db   -a  110382#        224#         7345#         1#      B-  -2412#       263#      265 118500#        240#
+  53  159  106  265 Sg   -a  112794#        139#         7333#         1#      B-  -3601#       277#      265 121089#        149#
+  51  158  107  265 Bh   -a  116395#        239#         7316#         1#      B-  -4505#       240#      265 124955#        257#
+  49  157  108  265 Hs   -a  120900.245      23.958      7296.2474     0.0904  B-  -5724#       439#      265 129791.744      25.719
+  47  156  109  265 Mt   -a  126624#        439#         7272#         2#      B-      *                  265 135937#        471#
+0 60  163  103  266 Lr   -a  111662#        539#         7349#         2#      B-   1526#       679#      266 119874#        579#
+  58  162  104  266 Rf   -a  110136#        412#         7351#         2#      B-  -2604#       500#      266 118236#        443#
+  56  161  105  266 Db   -a  112740#        283#         7339#         1#      B-   -877#       374#      266 121032#        304#
+  54  160  106  266 Sg   -a  113617#        245#         7332#         1#      B-  -4487#       294#      266 121973#        263#
+  52  159  107  266 Bh   -a  118104#        163#         7313#         1#      B-  -3036#       165#      266 126790#        175#
+  50  158  108  266 Hs   -a  121139.675      27.106      7298.2611     0.1019  B-  -6533.0066   100.2087  266 130048.783      29.099
+  48  157  109  266 Mt   -a  127672.681      96.473      7270.7598     0.3627  B-      *                  266 137062.253     103.568
+0 59  163  104  267 Rf   -a  113444#        575#         7342#         2#      B-   -570#       686#      267 121787#        617#
+  57  162  105  267 Db   -a  114014#        374#         7337#         1#      B-  -1792#       457#      267 122399#        402#
+  55  161  106  267 Sg   -a  115806#        261#         7327#         1#      B-  -2958#       371#      267 124323#        281#
+  53  160  107  267 Bh   -a  118765#        263#         7313#         1#      B-  -3893#       279#      267 127499#        282#
+  51  159  108  267 Hs   -a  122658#         95#         7295#         0#      B-  -5133#       512#      267 131678#        102#
+  49  158  109  267 Mt   -a  127791#        503#         7273#         2#      B-  -6089#       543#      267 137189#        540#
+  47  157  110  267 Ds   -a  133880#        204#         7248#         1#      B-      *                  267 143726#        219#
+0 60  164  104  268 Rf   -a  115476#        662#         7337#         2#      B-  -1584#       848#      268 123968#        711#
+  58  163  105  268 Db   -a  117060#        529#         7328#         2#      B-    260#       707#      268 125669#        568#
+  56  162  106  268 Sg   -a  116800#        469#         7326#         2#      B-  -3907#       605#      268 125389#        504#
+  54  161  107  268 Bh   -a  120707#        382#         7309#         1#      B-  -2261#       486#      268 129584#        410#
+  52  160  108  268 Hs   -a  122968#        300#         7297#         1#      B-  -6183#       380#      268 132011#        322#
+  50  159  109  268 Mt   -a  129151#        233#         7271#         1#      B-  -4497#       381#      268 138649#        250#
+  48  158  110  268 Ds   -a  133648#        301#         7252#         1#      B-      *                  268 143477#        324#
+0 59  164  105  269 Db   -a  119148#        624#         7323#         2#      B-   -544#       724#      269 127911#        669#
+  57  163  106  269 Sg   -a  119692#        368#         7318#         1#      B-  -1785#       525#      269 128495#        395#
+  55  162  107  269 Bh   -a  121477#        374#         7309#         1#      B-  -3016#       396#      269 130411#        402#
+  53  161  108  269 Hs   -a  124493#        131#         7294#         0#      B-  -4807#       338#      269 133649#        141#
+  51  160  109  269 Mt   -a  129300#        312#         7274#         1#      B-  -5535#       313#      269 138809#        335#
+  49  159  110  269 Ds   -a  134834.671      31.403      7250.1551     0.1167  B-      *                  269 144750.965      33.712
+0 60  165  105  270 Db   -a  122397#        575#         7314#         2#      B-    966#       735#      270 131399#        617#
+  58  164  106  270 Sg   -a  121431#        458#         7314#         2#      B-  -2799#       547#      270 130362#        492#
+  56  163  107  270 Bh   -a  124230#        299#         7301#         1#      B-   -882#       388#      270 133366#        320#
+  54  162  108  270 Hs   -a  125112#        248#         7295#         1#      B-  -5597#       313#      270 134313#        266#
+  52  161  109  270 Mt   -a  130709#        191#         7271#         1#      B-  -3973#       195#      270 140322#        205#
+  50  160  110  270 Ds   -a  134681.584      39.275      7253.7634     0.1455  B-      *                  270 144586.620      42.163
+0 59  165  106  271 Sg   -a  124617#        591#         7305#         2#      B-  -1242#       705#      271 133782#        634#
+  57  164  107  271 Bh   -a  125859#        384#         7298#         1#      B-  -1832#       473#      271 135115#        412#
+  55  163  108  271 Hs   -a  127691#        276#         7288#         1#      B-  -3409#       430#      271 137082#        296#
+  53  162  109  271 Mt   -a  131100#        330#         7273#         1#      B-  -4853#       344#      271 140741#        354#
+  51  161  110  271 Ds   -a  135952#         97#         7252#         0#      B-      *                  271 145951#        104#
+0 60  166  106  272 Sg   -a  126520#        692#         7301#         3#      B-  -2267#       873#      272 135825#        743#
+  58  165  107  272 Bh   -a  128787#        532#         7290#         2#      B-   -217#       737#      272 138259#        571#
+  56  164  108  272 Hs   -a  129004#        510#         7286#         2#      B-  -4477#       704#      272 138492#        547#
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+  50  161  111  272 Rg   -a  142773#        233#         7227#         1#      B-      *                  272 153273#        251#
+0 61  167  106  273 Sg    x  129920#        400#         7292#         1#      B-   -763#       767#      273 139475#        429#
+  59  166  107  273 Bh   -a  130683#        655#         7286#         2#      B-  -1084#       754#      273 140294#        703#
+  57  165  108  273 Hs   -a  131767#        374#         7279#         1#      B-  -3015#       565#      273 141458#        401#
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+  53  163  110  273 Ds   -a  138285#        142#         7250#         1#      B-  -4600#       424#      273 148455#        152#
+  51  162  111  273 Rg   -a  142885#        400#         7230#         1#      B-      *                  273 153393#        429#
+0 60  167  107  274 Bh   -a  133762#        578#         7278#         2#      B-    356#       744#      274 143599#        620#
+  58  166  108  274 Hs   -a  133406#        469#         7276#         2#      B-  -3843#       602#      274 143217#        504#
+  56  165  109  274 Mt   -a  137249#        377#         7259#         1#      B-  -1948#       542#      274 147343#        404#
+  54  164  110  274 Ds   -a  139197#        389#         7249#         1#      B-  -5415#       442#      274 149434#        418#
+  52  163  111  274 Rg   -a  144612#        209#         7227#         1#      B-      *                  274 155247#        225#
+0 61  168  107  275 Bh    x  135780#        600#         7273#         2#      B-   -712#       844#      275 145766#        644#
+  59  167  108  275 Hs   -a  136492#        593#         7268#         2#      B-  -2275#       709#      275 146530#        637#
+  57  166  109  275 Mt   -a  138767#        387#         7257#         1#      B-  -2899#       516#      275 148972#        416#
+  55  165  110  275 Ds   -a  141666#        340#         7243#         1#      B-  -3729#       561#      275 152085#        366#
+  53  164  111  275 Rg   -a  145395#        446#         7227#         2#      B-      *                  275 156088#        479#
+0 62  169  107  276 Bh    x  138950#        600#         7265#         2#      B-    765#       937#      276 149169#        644#
+  60  168  108  276 Hs   -a  138185#        720#         7265#         3#      B-  -3127#       895#      276 148348#        773#
+  58  167  109  276 Mt   -a  141312#        532#         7250#         2#      B-  -1227#       764#      276 151705#        571#
+  56  166  110  276 Ds   -a  142539#        548#         7243#         2#      B-  -4847#       834#      276 153022#        588#
+  54  165  111  276 Rg   -a  147386#        629#         7223#         2#      B-  -2974#       804#      276 158226#        675#
+  52  164  112  276 Cn    x  150360#        500#         7209#         2#      B-      *                  276 161418#        537#
+0 63  170  107  277 Bh    x  141100#        600#         7260#         2#      B-   -275#       748#      277 151477#        644#
+  61  169  108  277 Hs   -a  141375#        447#         7256#         2#      B-  -1633#       799#      277 151772#        480#
+  59  168  109  277 Mt   -a  143008#        662#         7247#         2#      B-  -2084#       770#      277 153525#        711#
+  57  167  110  277 Ds   -a  145092#        392#         7237#         1#      B-  -3315#       611#      277 155763#        421#
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+  53  165  112  277 Cn   -a  152332#        153#         7205#         1#      B-      *                  277 163535#        165#
+0 64  171  107  278 Bh    x  144370#        400#         7251#         1#      B-   1150#       500#      278 154988#        429#
+  62  170  108  278 Hs    x  143220#        300#         7252#         1#      B-  -2547#       652#      278 153753#        322#
+  60  169  109  278 Mt   -a  145767#        579#         7240#         2#      B-   -484#       771#      278 156487#        621#
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+0 63  171  108  279 Hs    x  146500#        600#         7243#         2#      B-  -1085#       900#      279 157274#        644#
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+  62  171  109  280 Mt    x  150510#        600#         7229#         2#      B-    190#       958#      280 161579#        644#
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+  58  169  111  280 Rg   -a  153886#        532#         7212#         2#      B-  -1768#       789#      280 165204#        571#
+  56  168  112  280 Cn   -a  155654#        583#         7202#         2#      B-  -5585#       707#      280 167102#        626#
+  54  167  113  280 Nh    x  161240#        400#         7180#         1#      B-      *                  280 173098#        429#
+0 63  172  109  281 Mt    x  152400#        600#         7225#         2#      B-   -873#       776#      281 163608#        644#
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+  57  169  112  281 Cn   -a  157947#        397#         7197#         1#      B-  -3863#       498#      281 169563#        427#
+  55  168  113  281 Nh    x  161810#        300#         7181#         1#      B-      *                  281 173710#        322#
+0 64  173  109  282 Mt   -a  155455#        447#         7218#         2#      B-    665#       538#      282 166888#        480#
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+  60  171  111  282 Rg   -a  157742#        588#         7204#         2#      B-  -1084#       804#      282 169343#        631#
+  58  170  112  282 Cn   -a  158826#        548#         7197#         2#      B-  -4903#       678#      282 170507#        588#
+  56  169  113  282 Nh   -a  163729#        400#         7177#         1#      B-      *                  282 175770#        430#
+0 63  173  110  283 Ds    x  157830#        500#         7210#         2#      B-  -1550#       843#      283 169437#        537#
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+  59  171  112  283 Cn   -a  161337#        615#         7192#         2#      B-  -3226#       754#      283 173202#        660#
+  57  170  113  283 Nh   -a  164563#        437#         7177#         2#      B-      *                  283 176666#        469#
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+  60  172  112  284 Cn   -a  162415#        762#         7191#         3#      B-  -4176#       931#      284 174360#        819#
+  58  171  113  284 Nh   -a  166591#        533#         7173#         2#      B-  -2188#       845#      284 178843#        573#
+  56  170  114  284 Fl   -a  168779#        656#         7163#         2#      B-      *                  284 181192#        704#
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+  61  173  112  285 Cn   -a  165086#        507#         7185#         2#      B-  -2682#       926#      285 177227#        544#
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+  57  171  114  285 Fl   -a  170932#        404#         7159#         1#      B-      *                  285 183503#        433#
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+  62  174  112  286 Cn    x  166450#        700#         7183#         2#      B-  -3507#       915#      286 178691#        751#
+  60  173  113  286 Nh   -a  169957#        590#         7168#         2#      B-  -1649#       806#      286 182456#        634#
+  58  172  114  286 Fl   -a  171606#        549#         7159#         2#      B-      *                  286 184226#        590#
+0 63  175  112  287 Cn    x  169370#        700#         7176#         2#      B-  -2085#       995#      287 181826#        751#
+  61  174  113  287 Nh   -a  171455#        707#         7166#         2#      B-  -2474#       939#      287 184064#        759#
+  59  173  114  287 Fl   -a  173929#        617#         7155#         2#      B-  -3819#       759#      287 186720#        663#
+  57  172  115  287 Mc   -a  177748#        443#         7139#         2#      B-      *                  287 190820#        475#
+0 64  176  112  288 Cn    x  170930#        700#         7174#         2#      B-  -3039#       989#      288 183501#        751#
+  62  175  113  288 Nh    x  173970#        700#         7160#         2#      B-   -947#      1035#      288 186764#        751#
+  60  174  114  288 Fl   -a  174917#        763#         7154#         3#      B-  -4749#       932#      288 187781#        819#
+  58  173  115  288 Mc   -a  179666#        536#         7135#         2#      B-      *                  288 192879#        575#
+0 63  176  113  289 Nh    x  175550#        500#         7158#         2#      B-  -1915#       715#      289 188461#        537#
+  61  175  114  289 Fl   -a  177465#        511#         7149#         2#      B-  -3217#       929#      289 190517#        548#
+  59  174  115  289 Mc   -a  180683#        776#         7135#         3#      B-  -3774#       925#      289 193971#        834#
+  57  173  116  289 Lv   -a  184457#        503#         7119#         2#      B-      *                  289 198023#        540#
+0 64  177  113  290 Nh   -a  178315#        469#         7152#         2#      B-   -416#       843#      290 191429#        503#
+  62  176  114  290 Fl   -a  178731#        700#         7147#         2#      B-  -4061#       917#      290 191875#        752#
+  60  175  115  290 Mc   -a  182792#        592#         7131#         2#      B-  -2236#       809#      290 196235#        635#
+  58  174  116  290 Lv   -a  185028#        552#         7120#         2#      B-      *                  290 198635#        593#
+0 63  177  114  291 Fl    x  181500#        700#         7141#         2#      B-  -2680#      1015#      291 194848#        751#
+  61  176  115  291 Mc   -a  184180#        735#         7129#         3#      B-  -3064#       964#      291 197725#        789#
+  59  175  116  291 Lv   -a  187244#        623#         7116#         2#      B-  -4409#       863#      291 201014#        669#
+  57  174  117  291 Ts   -a  191653#        597#         7098#         2#      B-      *                  291 205748#        640#
+0 62  177  115  292 Mc    x  186600#        700#         7124#         2#      B-  -1533#      1035#      292 200323#        751#
+  60  176  116  292 Lv   -a  188133#        763#         7116#         3#      B-  -5488#      1014#      292 201969#        819#
+  58  175  117  292 Ts   -a  193621#        669#         7095#         2#      B-      *                  292 207861#        718#
+0 61  177  116  293 Lv   -a  190568#        515#         7111#         2#      B-  -3860#       933#      293 204583#        553#
+  59  176  117  293 Ts   -a  194428#        778#         7095#         3#      B-  -4374#      1053#      293 208727#        835#
+  57  175  118  293 Og   -a  198802#        709#         7078#         2#      B-      *                  293 213423#        761#
+0 60  177  117  294 Ts   -a  196397#        593#         7092#         2#      B-  -2923#       811#      294 210840#        637#
+  58  176  118  294 Og   -a  199320#        553#         7079#         2#      B-      *                  294 213979#        594#
+0 59  177  118  295 Og   -a  201369#        655#         7076#         2#      B-      *                  295 216178#        703#

From 2f95966b0a5e2fd71abfbe8b27b296beeb9e80f8 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 30 Oct 2025 13:49:56 +0000
Subject: [PATCH 14/98] Made the decorator in neutronics.py follow the
 open-closed principle for ease of maintenace; added tests.

---
 process/neutronics.py         | 284 ++++++++++++++++++++--------------
 process/neutronics_data.py    |  14 +-
 tests/unit/test_neutronics.py |  85 +++++++---
 3 files changed, 239 insertions(+), 144 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index d6262e87f5..003d3f52f3 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -4,38 +4,46 @@
 """
 
 import functools
+import inspect
 
 import numpy as np
-from neutronics_data import MaterialMacroInfo
 from numpy import typing as npt
 from scipy.special import expm1
 
 from process.exceptions import ProcessValidationError
+from process.neutronics_data import MaterialMacroInfo
 
 
-def groupwise(func):
-    """Rename the current func as groupwise_func, and over-write the current method
-    as one that sums up all group-wise func.
+def summarize_values(func):
     """
-    method_name = func.__name__
-    groupwise_name = f"groupwise_{method_name}"
+    Keep groupwise_func unchanged, but create a new method under a similar name
+    (but with the prefix "groupwise_" removed) which outputs the sum of every
+    groupwise value.
+    """
+    summary_method_name = func.__name__[10:]
+    # confirm this is a groupwise method
+    func_params = inspect.signature(func).parameters
+    if not (func.__name__.startswith("groupwise_") and "n" in func_params):
+        raise ValueError(
+            "The decorated method is designed to turn groupwise methods into "
+            "summed flux/reaction/current methods."
+        )
 
     @functools.wraps(func)
     def wrapper(self, *args, **kwargs):
-        groupwise_func = getattr(self, groupwise_name)
-        return np.array(
-            [
-                groupwise_func(n, *args, **kwargs)
-                for n in range(1, self.n_groups + 1)
-            ],
+        groupwise_func = getattr(self, func.__name__)
+        return np.sum(
+            [groupwise_func(n, *args, **kwargs) for n in range(self.n_groups)],
+            axis=0,
         )
 
     def wrapper_setattr(cls):
-        """Save the decorated (groupwise) function under a different name after it has
-        been created, then overwrite the current method with the np.sum implementation.
         """
-        setattr(cls, groupwise_name, func)
-        setattr(cls, method_name, wrapper)
+        Attach the method that outputs the summed values of all of the
+        groupwise values to the same parent class.
+        """
+        setattr(cls, func.__name__, func)
+        setattr(cls, summary_method_name, wrapper)
         return cls
 
     # Instead of returning a function, we return a descriptor that registers itself later
@@ -133,7 +141,7 @@ def __init__(
         x_fw:
             thickness of the first wall [m]. It will be converted and stored in [cm].
         x_bz:
-            thickness of the blanket [m]. It will be converted and stored in [cm].
+            thickness of the blanket + first-wall [m]. It will be converted and stored in [cm].
         fw_mat:
             first wall material information
         bz_mat:
@@ -141,10 +149,10 @@ def __init__(
 
         Attributes
         ----------
-        x_fw:
+        x_fw_cm:
             thickness of the first wall, converted from [m] into [cm].
-        x_bz:
-            thickness of the blanket, converted from [m] into [cm].
+        x_bz_cm:
+            thickness of the blanket + first-wall, converted from [m] into [cm].
         n_groups:
             number of groups in the group structure
         group_structure:
@@ -155,14 +163,16 @@ def __init__(
             raise ValueError(
                 f"Cannot construct a first-wall+blanket module where{x_fw=}, {x_bz=}."
             )
-        self.x_fw = x_fw * 100
-        self.x_bz = x_bz * 100
+        self.x_fw_cm = x_fw * 100
+        self.x_bz_cm = x_bz * 100
         self.fw_mat = fw_mat
         self.bz_mat = bz_mat
         self.n_groups = self.fw_mat.n_groups
         self.group_structure = self.fw_mat.group_structure
-        if not np.isclose(
-            self.fw_mat.group_structure, self.bz_mat.group_structure
+        if not np.allclose(
+            self.fw_mat.group_structure,
+            self.bz_mat.group_structure,
+            atol=0,
         ):
             raise ProcessValidationError(
                 "The first-wall material info and breeding zone material info"
@@ -182,24 +192,24 @@ def solve_lowest_group(self) -> None:
         Store the solved constants in self.extended_boundary[0], self.l_fw_2[0],
         self.l_bz_2[0], and self.integration_constants[0].
         """
-        i = 0
-        if i in self.integration_constants:
+        n = 0
+        if n in self.integration_constants:
             return  # skip if it has already been solved.
-        self.l_fw_2[i], d_fw = get_diffusion_coefficient_and_length(
-            self.fw_mat.sigma_t[i],
-            self.fw_mat.sigma_s[i, i],
+        self.l_fw_2[n], d_fw = get_diffusion_coefficient_and_length(
+            self.fw_mat.sigma_t[n],
+            self.fw_mat.sigma_s[n, n],
             self.fw_mat.avg_atomic_mass,
         )
-        self.l_bz_2[i], d_bz = get_diffusion_coefficient_and_length(
-            self.bz_mat.sigma_t[i],
-            self.bz_mat.sigma_s[i, i],
+        self.l_bz_2[n], d_bz = get_diffusion_coefficient_and_length(
+            self.bz_mat.sigma_t[n],
+            self.bz_mat.sigma_s[n, n],
             self.bz_mat.avg_atomic_mass,
         )
-        l_fw = np.sqrt(abs(self.l_fw_2[i]))
-        l_bz = np.sqrt(abs(self.l_bz_2[i]))
-        x_fw, x_bz = self.x_fw, self.x_bz
-        self.extended_boundary[i] = x_bz + extrapolation_length(d_bz)
-        if self.l_fw_2[i] > 0:
+        l_fw = np.sqrt(abs(self.l_fw_2[n]))
+        l_bz = np.sqrt(abs(self.l_bz_2[n]))
+        x_fw, x_bz = self.x_fw_cm, self.x_bz_cm
+        self.extended_boundary[n] = x_bz + extrapolation_length(d_bz)
+        if self.l_fw_2[n] > 0:
             sinh_fw = np.sinh(x_fw / l_fw)
             cosh_fw = np.cosh(x_fw / l_fw)
             tanh_fw = np.tanh(x_fw / l_fw)
@@ -207,14 +217,14 @@ def solve_lowest_group(self) -> None:
             sinh_fw = np.sin(x_fw / l_fw)
             cosh_fw = np.cos(x_fw / l_fw)
             tanh_fw = np.tan(x_fw / l_fw)
-        if self.l_bz_2[i] > 0:
-            sinh_bz = np.sinh((self.extended_boundary[i] - x_fw) / l_bz)
-            cosh_bz = np.cosh((self.extended_boundary[i] - x_fw) / l_bz)
-            tanh_bz = np.tanh((self.extended_boundary[i] - x_fw) / l_bz)
+        if self.l_bz_2[n] > 0:
+            sinh_bz = np.sinh((self.extended_boundary[n] - x_fw) / l_bz)
+            cosh_bz = np.cosh((self.extended_boundary[n] - x_fw) / l_bz)
+            tanh_bz = np.tanh((self.extended_boundary[n] - x_fw) / l_bz)
         else:
-            sinh_bz = np.sin((self.extended_boundary[i] - x_fw) / l_bz)
-            cosh_bz = np.cos((self.extended_boundary[i] - x_fw) / l_bz)
-            tanh_bz = np.tan((self.extended_boundary[i] - x_fw) / l_bz)
+            sinh_bz = np.sin((self.extended_boundary[n] - x_fw) / l_bz)
+            cosh_bz = np.cos((self.extended_boundary[n] - x_fw) / l_bz)
+            tanh_bz = np.tan((self.extended_boundary[n] - x_fw) / l_bz)
 
         c2 = (
             self.flux
@@ -232,64 +242,64 @@ def solve_lowest_group(self) -> None:
             * (1 - tanh_fw)
             / ((d_bz / l_bz) * cosh_bz + (d_fw / l_fw) * tanh_fw * sinh_bz)
         )
-        c3 = c3_c4_common_factor * np.exp(self.extended_boundary[i] / l_bz)
-        c4 = -c3_c4_common_factor * np.exp(-self.extended_boundary[i] / l_bz)
-        self.integration_constants[i] = [c1, c2, c3, c4]
+        c3 = c3_c4_common_factor * np.exp(self.extended_boundary[n] / l_bz)
+        c4 = -c3_c4_common_factor * np.exp(-self.extended_boundary[n] / l_bz)
+        self.integration_constants[n] = [c1, c2, c3, c4]
 
     def solve_group_n(self, n: int) -> None:
         """
-        Solve the n-th group of neutron's diffusion equation.
+        Solve the n-th group of neutron's diffusion equation, where n<=n_groups-1.
         Store the solved constants in self.extended_boundary[n-1], self.l_fw_2[n-1],
         self.l_bz_2[n-1], and self.integration_constants[n-1].
 
         Parameters
         ----------
         n:
-            The index of the neutron group whose constants are being solved.
-            allowed range: [1, self.n_groups]
-            This gets translated to the index i=n-1 used for the dictionaries of
-            constants attached to self.
+            The index of the neutron group whose constants are being solved. n <= n_groups - 1.
+            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         """
-        if n not in range(1, self.n_groups):
+        if n not in range(self.n_groups):
             raise ValueError(
                 f"n must be a positive integer between 1 and {self.n_groups}!"
             )
-        if n == 1:
+        if n == 0:
             return self.solve_lowest_group()
-        for k in range(n - 1):
+        for k in range(n):
             if k not in self.integration_constants:
                 self.solve_group_n(k)
-        i = n - 1
-        if i in self.integration_constants:
+        if n in self.integration_constants:
             return None  # skip if it has already been solved.
-        self.l_fw_2[i], d_fw = get_diffusion_coefficient_and_length(
-            self.fw_mat.sigma_t[i],
-            self.fw_mat.sigma_s[i, i],
+        self.l_fw_2[n], d_fw = get_diffusion_coefficient_and_length(
+            self.fw_mat.sigma_t[n],
+            self.fw_mat.sigma_s[n, n],
             self.fw_mat.avg_atomic_mass,
         )
-        self.l_bz_2[i], d_bz = get_diffusion_coefficient_and_length(
-            self.bz_mat.sigma_t[i],
-            self.bz_mat.sigma_s[i, i],
+        self.l_bz_2[n], d_bz = get_diffusion_coefficient_and_length(
+            self.bz_mat.sigma_t[n],
+            self.bz_mat.sigma_s[n, n],
             self.bz_mat.avg_atomic_mass,
         )
-        l_fw = np.sqrt(abs(self.l_fw_2[i]))
-        l_bz = np.sqrt(abs(self.l_bz_2[i]))
+        l_fw = np.sqrt(abs(self.l_fw_2[n]))
+        l_bz = np.sqrt(abs(self.l_bz_2[n]))
         c1 = ...
         c2 = ...
         c3 = ...
         c4 = ...
-        self.extended_boundary[i] = self.x_bz + extrapolation_length(d_bz)
-        self.integration_constants[i] = [c1, c2, c3, c4]
+        self.extended_boundary[n] = self.x_bz_cm + extrapolation_length(d_bz)
+        self.integration_constants[n] = [c1, c2, c3, c4]
         return None
 
-    @groupwise
-    def neutron_flux_fw(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
+    @summarize_values
+    def groupwise_neutron_flux_fw(
+        self, n: int, x: float | npt.NDArray
+    ) -> npt.NDArray:
         """Neutron flux of the n-th group at the first wall, at location x [m].
 
         Parameters
         ----------
         n:
-            The index of the neutron group whose flux is being evaluated.
+            The index of the neutron group whose flux is being evaluated. n <= n_groups - 1.
+            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         x:
             The position where the neutron flux has to be evaluated.
             Note that this function does not enforce a check for x=inside the first-wall,
@@ -302,20 +312,22 @@ def neutron_flux_fw(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         flux:
             Neutron flux at x meter from the first wall.
         """
-        i = n - 1
-        c1, c2 = self.integration_constants[i][:2]
-        l_fw = np.sqrt(abs(self.l_fw_2[i]))
+        c1, c2 = self.integration_constants[n][:2]
+        l_fw = np.sqrt(abs(self.l_fw_2[n]))
         x_l_fw = abs(x) / l_fw
         return c1 * np.exp(x_l_fw) + c2 * np.exp(-x_l_fw)
 
-    @groupwise
-    def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
+    @summarize_values
+    def groupwise_neutron_flux_bz(
+        self, n: int, x: float | npt.NDArray
+    ) -> npt.NDArray:
         """Neutron flux of the n-th groupat the blanket, at location x [m].
 
         Parameters
         ----------
         n:
-            The index of the neutron group whose flux is being evaluated.
+            The index of the neutron group whose flux is being evaluated. n <= n_groups - 1.
+            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         x:
             The position where the neutron flux has to be evaluated. [m]
             Note that this function does not enforce a check for x=inside the blanket,
@@ -328,22 +340,24 @@ def neutron_flux_bz(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         flux:
             Neutron flux at x meter from the first wall.
         """
-        i = n - 1
-        c3, c4 = self.integration_constants[i][2:]
-        l_bz = np.sqrt(abs(self.l_bz_2[i]))
+        c3, c4 = self.integration_constants[n][2:]
+        l_bz = np.sqrt(abs(self.l_bz_2[n]))
         x_l_bz = abs(x) / l_bz
         return c3 * np.exp(x_l_bz) + c4 * np.exp(-x_l_bz)
 
-    @groupwise
-    def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
+    @summarize_values
+    def groupwise_neutron_flux_at(
+        self, n: int, x: float | npt.NDArray
+    ) -> npt.NDArray:
         """
         Neutron flux anywhere within the valid range of x,
-        i.e. from -self.x_bz to self.x_bz.
+        i.e. from -self.x_bz_cm to self.x_bz_cm.
 
         Parameters
         ----------
         n:
-            Neutron group number
+            Neutron group index. n <= n_groups - 1.
+            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         x:
             The depth where we want the neutron flux (m).
             Valid only between x= -extended boundary to +-extended boundary of that group
@@ -356,8 +370,8 @@ def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
         x = np.asarray(x)
-        in_fw = abs(x) <= self.x_fw
-        in_bz = np.logical_and(self.x_fw < abs(x), abs(x) <= self.x_bz)
+        in_fw = abs(x) <= self.x_fw_cm
+        in_bz = np.logical_and(self.x_fw_cm < abs(x), abs(x) <= self.x_bz_cm)
         if (~np.logical_or(in_fw, in_bz)).any():
             raise ValueError(
                 f"for neutron group {n}, neutron flux can only be calculated up to "
@@ -370,98 +384,128 @@ def neutron_flux_at(self, n: int, x: float | npt.NDArray) -> npt.NDArray:
         return out_flux
 
     # scalar values (one or two such floats per neutron group.)
-    @groupwise
-    def reaction_rate_fw(self, n: int, reaction_type: str) -> float:
+    @summarize_values
+    def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
         """Calculate the reaction rate in the first wall.
 
         Parameters
         ----------
         n:
-            The index of the neutron group that needs to be solved.
+            The index of the neutron group that needs to be solved. n <= n_groups - 1.
+            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         reaction_type:
             Two options: "total" or "non-scattering".
 
         """
         self.solve_group_n(n)
-        i = n - 1
-        l_fw = np.sqrt(abs(self.l_fw_2[i]))
-        c1, c2, c3, c4 = self.integration_constants[i]
+        l_fw = np.sqrt(abs(self.l_fw_2[n]))
+        c1, c2, c3, c4 = self.integration_constants[n]
         if reaction_type == "non-scattering":
-            sigma = self.fw_mat.sigma_t[i] - self.fw_mat.sigma_s[i, i]
+            sigma = self.fw_mat.sigma_t[n] - self.fw_mat.sigma_s[n, n]
         elif reaction_type == "total":
-            sigma = self.fw_mat.sigma_t[i]
+            sigma = self.fw_mat.sigma_t[n]
         else:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
             )
         return sigma * (
-            c1 * expm1(self.x_fw / l_fw) - c2 * expm1(-self.x_fw / l_fw)
+            c1 * expm1(self.x_fw_cm / l_fw) - c2 * expm1(-self.x_fw_cm / l_fw)
         )
 
-    @groupwise
-    def reaction_rate_bz(self, n: int, reaction_type: str) -> float:
+    @summarize_values
+    def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
         """Calculate the reaction rate in the blanket.
 
         Parameters
         ----------
         n:
-            The index of the neutron group that needs to be solved.
+            The index of the neutron group that needs to be solved. n <= n_groups - 1.
+            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         reaction_type:
             Two options: "total" or "non-scattering".
 
         """
         self.solve_group_n(n)
-        i = n - 1
-        l_bz = np.sqrt(abs(self.l_bz_2[i]))
-        c1, c2, c3, c4 = self.integration_constants[i]
+        l_bz = np.sqrt(abs(self.l_bz_2[n]))
+        c1, c2, c3, c4 = self.integration_constants[n]
         if reaction_type == "non-scattering":
-            sigma = self.bz_mat.sigma_t[i] - self.bz_mat.sigma_s[i, i]
+            sigma = self.bz_mat.sigma_t[n] - self.bz_mat.sigma_s[n, n]
         elif reaction_type == "total":
-            sigma = self.bz_mat.sigma_t[i]
+            sigma = self.bz_mat.sigma_t[n]
         else:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
             )
         # thicknesses in terms of bz path lengths
-        bz_thick = (self.x_bz - self.x_fw) / l_bz
-        fw_thick = self.x_fw / l_bz
+        bz_thick = (self.x_bz_cm - self.x_fw_cm) / l_bz
+        fw_thick = self.x_fw_cm / l_bz
         return sigma * (
             c3 * np.exp(fw_thick) * expm1(bz_thick)
             - c4 * np.exp(-fw_thick) * expm1(-bz_thick)
         )
 
-    @groupwise
-    def flux_fw2bz(self, n: int) -> float:
+    @summarize_values
+    def groupwise_current_fw2bz(self, n: int) -> float:
+        """
+        Net current from the first wall to breeding zone.
+        Parameters
+        ----------
+        n:
+            The index of the neutron group that we want the current for. n <= n_groups - 1.
+            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
+
+        Returns
+        -------
+        :
+            current in cm^-2
+        """
         self.solve_group_n(n)
-        i = n - 1
-        c1, c2, c3, c4 = self.integration_constants[i]
+        c1, c2, c3, c4 = self.integration_constants[n]
         l_bz_2, d_bz = get_diffusion_coefficient_and_length(
-            self.bz_mat.sigma_t[i],
-            self.bz_mat.sigma_s[i, i],
+            self.bz_mat.sigma_t[n],
+            self.bz_mat.sigma_s[n, n],
             self.bz_mat.avg_atomic_mass,
         )
         l_bz = np.sqrt(abs(l_bz_2))
         return (
             -d_bz
             / l_bz
-            * (c3 * np.exp(self.x_fw / l_bz) - c4 * np.exp(-self.x_fw / l_bz))
+            * (
+                c3 * np.exp(self.x_fw_cm / l_bz)
+                - c4 * np.exp(-self.x_fw_cm / l_bz)
+            )
         )
         # equivalent definition below: (should yield the same answer)
-        # self.flux_fw2bz[i] = - d_fw / l_fw * (c1 * np.exp(x_fw/l_fw) - c2 * np.exp(-x_fw/l_fw))
+        # return - d_fw / l_fw * (c1 * np.exp(x_fw/l_fw) - c2 * np.exp(-x_fw/l_fw))
+
+    @summarize_values
+    def groupwise_current_escaped(self, n: int) -> float:
+        """
+        Neutron current escaped from the breeding zone to outside the reactor.
+        Parameters
+        ----------
+        n:
+            The index of the neutron group that we want the current for. n <= n_groups - 1.
+            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
 
-    @groupwise
-    def flux_escaped(self, n: int) -> float:
+        Returns
+        -------
+        :
+            current in cm^-2
+        """
         self.solve_group_n(n)
-        i = n - 1
-        c1, c2, c3, c4 = self.integration_constants[i]
+        c1, c2, c3, c4 = self.integration_constants[n]
         l_bz_2, d_bz = get_diffusion_coefficient_and_length(
-            self.bz_mat.sigma_t[i],
-            self.bz_mat.sigma_s[i, i],
+            self.bz_mat.sigma_t[n],
+            self.bz_mat.sigma_s[n, n],
             self.bz_mat.avg_atomic_mass,
         )
         l_bz = np.sqrt(abs(l_bz_2))
-        self.flux_escaped[i] = (
+        return (
             -d_bz
             / l_bz
-            * (c3 * np.exp(self.x_bz / l_bz) - c4 * np.exp(-self.x_bz / l_bz))
+            * (
+                c3 * np.exp(self.x_bz_cm / l_bz)
+                - c4 * np.exp(-self.x_bz_cm / l_bz)
+            )
         )
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index a7c29f05f1..5f16c72d28 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -200,7 +200,13 @@ class MaterialMacroInfo:
 
     def __post_init__(self):
         """Validation to confirm the shape is correct."""
-        if len(self.sigma_t) != self.n_groups:
+        # force into float or numpy arrays.
+        self.sigma_t = np.array(self.sigma_t, dtype=float)
+        self.sigma_s = np.array(self.sigma_s, dtype=float)
+        self.group_structure = np.array(self.group_structure, dtype=float)
+        self.avg_atomic_mass = float(self.avg_atomic_mass)
+
+        if np.shape(self.sigma_t) != (self.n_groups,):
             raise ProcessValidationError(
                 f"total group-wise cross-sections should have {self.n_groups} "
                 "groups as specified by the group_structure."
@@ -210,7 +216,11 @@ def __post_init__(self):
                 "Group-wise scattering cross-sections be a square matrix of "
                 f"shape n*n, where n= number of groups = {self.n_groups}."
             )
-        self.avg_atomic_mass = float(self.avg_atomic_mass)  # force into float
+        if (self.sigma_s.sum(axis=1) > self.sigma_t).any():
+            raise ProcessValidationError(
+                "Each group's scattering cross-section should be smaller than "
+                "or equal to its total cross-section."
+            )
 
     @property
     def n_groups(self):
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 8f41310411..082d9d30c7 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -1,25 +1,66 @@
 import pytest
 
+from process.exceptions import ProcessValidationError
+from process.neutronics import NeutronFluxProfile
+from process.neutronics_data import MaterialMacroInfo
+
+
+def test_scattering_larger_than_total():
+    with pytest.raises(ProcessValidationError):
+        MaterialMacroInfo(
+            [1.0],
+            [[2.0]],
+            [1.0, 2.0],
+            1,
+        )
+
+
+def test_group_structure_too_short():
+    with pytest.raises(ProcessValidationError):
+        MaterialMacroInfo(
+            [1.0],
+            [[1.0]],
+            [0.0],
+            0.1,
+        )
+
+
+def test_has_local_fluxes():
+    """Test that the groupwise decorator has worked on the local fluxes methods."""
+    assert hasattr(NeutronFluxProfile, "neutron_flux_at")
+    assert hasattr(NeutronFluxProfile, "groupwise_neutron_flux_at")
+    assert hasattr(NeutronFluxProfile, "neutron_flux_fw")
+    assert hasattr(NeutronFluxProfile, "groupwise_neutron_flux_fw")
+    assert hasattr(NeutronFluxProfile, "neutron_flux_bz")
+    assert hasattr(NeutronFluxProfile, "groupwise_neutron_flux_bz")
+
+
+def test_has_boundary_current():
+    """Test that the groupwise decorator has worked on the boundary fluxes methods."""
+    assert hasattr(NeutronFluxProfile, "groupwise_current_fw2bz")
+    assert hasattr(NeutronFluxProfile, "current_fw2bz")
+    assert hasattr(NeutronFluxProfile, "groupwise_current_escaped")
+    assert hasattr(NeutronFluxProfile, "current_escaped")
+
+
+def test_has_reactions():
+    """Test that the groupwise decorator has worked on the reactions methods."""
+    assert hasattr(NeutronFluxProfile, "groupwise_reaction_rate_fw")
+    assert hasattr(NeutronFluxProfile, "reaction_rate_fw")
+    assert hasattr(NeutronFluxProfile, "groupwise_reaction_rate_bz")
+    assert hasattr(NeutronFluxProfile, "reaction_rate_bz")
+
+
+fw_material = MaterialMacroInfo(
+    [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [0, 100, 1000], 1.0
+)
+bz_material = MaterialMacroInfo(
+    [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [0, 100, 1000], 2.0
+)
 profile = NeutronFluxProfile(
-    1.0, #flux
-    "dummy-FW-mat",
-    0.01, #1cm
-    "dummy-BZ-mat",
-    0.11, #10cm thick blanket
-    n_groups=2,
-    )
-def test_has_fluxes():
-    assert hasattr(profile, "neutron_flux_at")
-    assert hasattr(profile, "groupwise_neutron_flux_at")
-    assert hasattr(profile, "neutron_flux_fw")
-    assert hasattr(profile, "groupwise_neutron_flux_fw")
-    assert hasattr(profile, "neutron_flux_bz")
-    assert hasattr(profile, "groupwise_neutron_flux_bz")
-
-def test_reactions():
-    assert hasattr(profile, "groupwise_reaction_rate_fw")
-    assert hasattr(profile, "reaction_rate_fw")
-    assert hasattr(profile, "groupwise_reaction_rate_bz")
-    assert hasattr(profile, "reaction_rate_bz")
-    assert hasattr(profile, "flux_fw2bz")
-    assert hasattr(profile, "flux_escaped")
\ No newline at end of file
+    1.0,  # flux
+    0.01,  # 1cm
+    0.11,  # 10cm thick blanket
+    fw_material,
+    bz_material,
+)

From 3336c233c10555e64d79bdcd29de05ed774af083 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 30 Oct 2025 14:52:12 +0000
Subject: [PATCH 15/98] made the four attributes: integration_constants,
 l_fw_2, l_bz_2, extended_boundary, to be self-populating dictionaries
 (populated by solve_group_n).

---
 process/neutronics.py | 71 +++++++++++++++++++++++++++++++++++--------
 1 file changed, 58 insertions(+), 13 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 003d3f52f3..72fc2fb8aa 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -5,6 +5,7 @@
 
 import functools
 import inspect
+from collections.abc import Callable
 
 import numpy as np
 from numpy import typing as npt
@@ -120,6 +121,55 @@ def extrapolation_length(diffusion_coefficient: float) -> float:
     return 0.7104 * 3 * diffusion_coefficient
 
 
+class AutoPopulatingDict:
+    """
+    Class that behaves like a dictionary, but if the required key does not
+    exist in the dictionary, it will call the populating_method to populate
+    that specific key.
+    """
+
+    def __init__(self, populating_method: Callable[[int], None]):
+        """
+        Attributes
+        ----------
+        _dict:
+            A dictionary indexed by integers, so that we can populate its
+            values out of sequence.
+        populating_method:
+            The method to be called if the requested index n is currently
+            unpopulated in the dictionary. This method should populate the
+            dictionary.
+        """
+        self._dict = {}
+        self._attempting_to_access = []
+        self.populating_method = populating_method
+
+    def __getitem__(self, i: int):
+        """Check if index i is in the dictionary or not. If not, populate it."""
+        if i in self._attempting_to_access:
+            raise RecursionError(
+                f"retrieving the value of [{i}] requires the value of [{i}]"
+            )
+        if i not in self._dict:
+            self._attempting_to_access.append(i)
+            self.populating_method(i)
+            if i not in self._dict:
+                raise RuntimeError(
+                    f"{self.populating_method}({i}) failed to populate key {i} "
+                    "in the dictionary!"
+                )
+            self._attempting_to_access.remove(i)
+        return self._dict[i]
+
+    def __contains__(self, i: int):
+        """Check if key 'i' is in the dictionary or not."""
+        return i in self._dict
+
+    def __setitem__(self, i: int, value: float):
+        """Check if dict i is in the index or not."""
+        self._dict[i] = value
+
+
 class NeutronFluxProfile:
     """Neutron flux in the first wall or the blanket."""
 
@@ -179,12 +229,11 @@ def __init__(
                 "must have the same group structure!"
             )
 
-        # macroscopic cross-sections Sigma saved here.
-        # Dictionaries indexed by integers, so that we can create these values
-        # out of sequence.
-        self.integration_constants = {}
-        self.l_fw_2, self.l_bz_2 = {}, {}  # diffusion lengths squared
-        self.extended_boundary = {}
+        self.integration_constants = AutoPopulatingDict(self.solve_group_n)
+        # diffusion lengths squared
+        self.l_fw_2 = AutoPopulatingDict(self.solve_group_n)
+        self.l_bz_2 = AutoPopulatingDict(self.solve_group_n)
+        self.extended_boundary = AutoPopulatingDict(self.solve_group_n)
 
     def solve_lowest_group(self) -> None:
         """
@@ -374,8 +423,8 @@ def groupwise_neutron_flux_at(
         in_bz = np.logical_and(self.x_fw_cm < abs(x), abs(x) <= self.x_bz_cm)
         if (~np.logical_or(in_fw, in_bz)).any():
             raise ValueError(
-                f"for neutron group {n}, neutron flux can only be calculated up to "
-                f"{self.extended_boundary[n]} cm, which {x * 100} cm violates!"
+                f"for neutron group {n}, neutron flux can only be calculated "
+                f"up to {self.x_bz_cm} cm, which {x * 100} cm violates!"
             )
 
         out_flux = np.zeros_like(x)
@@ -383,7 +432,7 @@ def groupwise_neutron_flux_at(
         out_flux[in_bz] = self.groupwise_neutron_flux_bz(n, x[in_bz])
         return out_flux
 
-    # scalar values (one or two such floats per neutron group.)
+    # scalar values (one such float per neutron group.)
     @summarize_values
     def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
         """Calculate the reaction rate in the first wall.
@@ -397,7 +446,6 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
             Two options: "total" or "non-scattering".
 
         """
-        self.solve_group_n(n)
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
         c1, c2, c3, c4 = self.integration_constants[n]
         if reaction_type == "non-scattering":
@@ -425,7 +473,6 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
             Two options: "total" or "non-scattering".
 
         """
-        self.solve_group_n(n)
         l_bz = np.sqrt(abs(self.l_bz_2[n]))
         c1, c2, c3, c4 = self.integration_constants[n]
         if reaction_type == "non-scattering":
@@ -459,7 +506,6 @@ def groupwise_current_fw2bz(self, n: int) -> float:
         :
             current in cm^-2
         """
-        self.solve_group_n(n)
         c1, c2, c3, c4 = self.integration_constants[n]
         l_bz_2, d_bz = get_diffusion_coefficient_and_length(
             self.bz_mat.sigma_t[n],
@@ -493,7 +539,6 @@ def groupwise_current_escaped(self, n: int) -> float:
         :
             current in cm^-2
         """
-        self.solve_group_n(n)
         c1, c2, c3, c4 = self.integration_constants[n]
         l_bz_2, d_bz = get_diffusion_coefficient_and_length(
             self.bz_mat.sigma_t[n],

From 1506730eb39cb178dd0fed27e51a4e6f905bffff Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 30 Oct 2025 15:44:26 +0000
Subject: [PATCH 16/98] Some quality-of-life things - _attempting_to_access
 attribute is made into a set, allowing index i to be discarded from it at
 every opportunity without having to check for membership.

---
 process/neutronics.py | 41 +++++++++++++++++++++++++----------------
 1 file changed, 25 insertions(+), 16 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 72fc2fb8aa..390c4e217a 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -128,7 +128,7 @@ class AutoPopulatingDict:
     that specific key.
     """
 
-    def __init__(self, populating_method: Callable[[int], None]):
+    def __init__(self, populating_method: Callable[[int], None], name: str):
         """
         Attributes
         ----------
@@ -141,24 +141,26 @@ def __init__(self, populating_method: Callable[[int], None]):
             dictionary.
         """
         self._dict = {}
-        self._attempting_to_access = []
+        self._name = name
+        self._attempting_to_access = set()
         self.populating_method = populating_method
 
     def __getitem__(self, i: int):
         """Check if index i is in the dictionary or not. If not, populate it."""
         if i in self._attempting_to_access:
             raise RecursionError(
-                f"retrieving the value of [{i}] requires the value of [{i}]"
+                f"retrieving the value of {self._name}[{i}] requires the "
+                f"value of {self._name}[{i}]."
             )
         if i not in self._dict:
-            self._attempting_to_access.append(i)
+            self._attempting_to_access.add(i)
             self.populating_method(i)
             if i not in self._dict:
                 raise RuntimeError(
                     f"{self.populating_method}({i}) failed to populate key {i} "
                     "in the dictionary!"
                 )
-            self._attempting_to_access.remove(i)
+            self._attempting_to_access.discard(i)
         return self._dict[i]
 
     def __contains__(self, i: int):
@@ -167,6 +169,7 @@ def __contains__(self, i: int):
 
     def __setitem__(self, i: int, value: float):
         """Check if dict i is in the index or not."""
+        self._attempting_to_access.discard(i)
         self._dict[i] = value
 
 
@@ -229,11 +232,15 @@ def __init__(
                 "must have the same group structure!"
             )
 
-        self.integration_constants = AutoPopulatingDict(self.solve_group_n)
+        self.integration_constants = AutoPopulatingDict(
+            self.solve_group_n, "integration_constants"
+        )
         # diffusion lengths squared
-        self.l_fw_2 = AutoPopulatingDict(self.solve_group_n)
-        self.l_bz_2 = AutoPopulatingDict(self.solve_group_n)
-        self.extended_boundary = AutoPopulatingDict(self.solve_group_n)
+        self.l_fw_2 = AutoPopulatingDict(self.solve_group_n, "l_fw_2")
+        self.l_bz_2 = AutoPopulatingDict(self.solve_group_n, "l_bz_2")
+        self.extended_boundary = AutoPopulatingDict(
+            self.solve_group_n, "extended_boundary"
+        )
 
     def solve_lowest_group(self) -> None:
         """
@@ -309,7 +316,7 @@ def solve_group_n(self, n: int) -> None:
         """
         if n not in range(self.n_groups):
             raise ValueError(
-                f"n must be a positive integer between 1 and {self.n_groups}!"
+                f"n must be a positive integer between 0 and {self.n_groups}!"
             )
         if n == 0:
             return self.solve_lowest_group()
@@ -408,7 +415,7 @@ def groupwise_neutron_flux_at(
             Neutron group index. n <= n_groups - 1.
             Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         x:
-            The depth where we want the neutron flux (m).
+            The depth where we want the neutron flux [m].
             Valid only between x= -extended boundary to +-extended boundary of that group
 
         Raises
@@ -418,13 +425,15 @@ def groupwise_neutron_flux_at(
         """
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
-        x = np.asarray(x)
+        x = np.asarray(x) * 100
         in_fw = abs(x) <= self.x_fw_cm
-        in_bz = np.logical_and(self.x_fw_cm < abs(x), abs(x) <= self.x_bz_cm)
+        in_bz = np.logical_and(
+            self.x_fw_cm < abs(x), abs(x) <= self.extended_boundary[n]
+        )
         if (~np.logical_or(in_fw, in_bz)).any():
             raise ValueError(
                 f"for neutron group {n}, neutron flux can only be calculated "
-                f"up to {self.x_bz_cm} cm, which {x * 100} cm violates!"
+                f"up to {self.extended_boundary[n]} cm, which {x * 100} cm violates!"
             )
 
         out_flux = np.zeros_like(x)
@@ -492,7 +501,7 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
         )
 
     @summarize_values
-    def groupwise_current_fw2bz(self, n: int) -> float:
+    def groupwise_neutron_current_fw2bz(self, n: int) -> float:
         """
         Net current from the first wall to breeding zone.
         Parameters
@@ -525,7 +534,7 @@ def groupwise_current_fw2bz(self, n: int) -> float:
         # return - d_fw / l_fw * (c1 * np.exp(x_fw/l_fw) - c2 * np.exp(-x_fw/l_fw))
 
     @summarize_values
-    def groupwise_current_escaped(self, n: int) -> float:
+    def groupwise_neutron_current_escaped(self, n: int) -> float:
         """
         Neutron current escaped from the breeding zone to outside the reactor.
         Parameters

From faed908d451c6c15a2ae717638b1f2f2999dd002 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 30 Oct 2025 15:48:15 +0000
Subject: [PATCH 17/98] Keeping test updated.

---
 tests/unit/test_neutronics.py | 20 ++++++++++++++------
 1 file changed, 14 insertions(+), 6 deletions(-)

diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 082d9d30c7..b1f113965e 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -37,10 +37,10 @@ def test_has_local_fluxes():
 
 def test_has_boundary_current():
     """Test that the groupwise decorator has worked on the boundary fluxes methods."""
-    assert hasattr(NeutronFluxProfile, "groupwise_current_fw2bz")
-    assert hasattr(NeutronFluxProfile, "current_fw2bz")
-    assert hasattr(NeutronFluxProfile, "groupwise_current_escaped")
-    assert hasattr(NeutronFluxProfile, "current_escaped")
+    assert hasattr(NeutronFluxProfile, "groupwise_neutron_current_fw2bz")
+    assert hasattr(NeutronFluxProfile, "neutron_current_fw2bz")
+    assert hasattr(NeutronFluxProfile, "groupwise_neutron_current_escaped")
+    assert hasattr(NeutronFluxProfile, "neutron_current_escaped")
 
 
 def test_has_reactions():
@@ -51,11 +51,19 @@ def test_has_reactions():
     assert hasattr(NeutronFluxProfile, "reaction_rate_bz")
 
 
+# 2 groups
+# fw_material = MaterialMacroInfo(
+#     [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [0, 100, 1000], 1.0
+# )
+# bz_material = MaterialMacroInfo(
+#     [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [0, 100, 1000], 2.0
+# )
+# 1 group
 fw_material = MaterialMacroInfo(
-    [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [0, 100, 1000], 1.0
+    [1.0], [[0.5]], [0, 100], 1.0
 )
 bz_material = MaterialMacroInfo(
-    [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [0, 100, 1000], 2.0
+    [1.0], [[0.5]], [0, 100], 2.0
 )
 profile = NeutronFluxProfile(
     1.0,  # flux

From 1c9093d9590aed7abd1c17d6d1b2402e763be61b Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 30 Oct 2025 16:13:03 +0000
Subject: [PATCH 18/98] Corrected the ordering of the group structure to ensure
 that the first bin = highest energy/lowest lethargy.

---
 process/neutronics_data.py    | 8 ++++++++
 tests/unit/test_neutronics.py | 8 ++++----
 2 files changed, 12 insertions(+), 4 deletions(-)

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index 5f16c72d28..1a9d3db150 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -206,6 +206,14 @@ def __post_init__(self):
         self.group_structure = np.array(self.group_structure, dtype=float)
         self.avg_atomic_mass = float(self.avg_atomic_mass)
 
+        if np.diff(self.group_structure)>=0:
+            raise ValueError(
+                "The group structure must be defined beginning from the highest energy "
+                "bin (i.e. lowest lethargy bin) edge, descending to the lowest energy. "
+                "Similarly the cross-section must be arranged with the highest energy "
+                "group first, and the lowest energy group last."
+            )
+
         if np.shape(self.sigma_t) != (self.n_groups,):
             raise ProcessValidationError(
                 f"total group-wise cross-sections should have {self.n_groups} "
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index b1f113965e..f5f997a409 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -53,17 +53,17 @@ def test_has_reactions():
 
 # 2 groups
 # fw_material = MaterialMacroInfo(
-#     [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [0, 100, 1000], 1.0
+    # [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [1000, 100, 0], 1.0
 # )
 # bz_material = MaterialMacroInfo(
-#     [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [0, 100, 1000], 2.0
+    # [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [1000, 100, 0], 2.0
 # )
 # 1 group
 fw_material = MaterialMacroInfo(
-    [1.0], [[0.5]], [0, 100], 1.0
+    [1.0], [[0.5]], [100, 0], 1.0
 )
 bz_material = MaterialMacroInfo(
-    [1.0], [[0.5]], [0, 100], 2.0
+    [1.0], [[0.5]], [100, 0], 2.0
 )
 profile = NeutronFluxProfile(
     1.0,  # flux

From e21a2d62ec252981a1cef549c7befb118a3b70ef Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 30 Oct 2025 16:14:00 +0000
Subject: [PATCH 19/98] to cm fix.

---
 process/neutronics.py | 11 ++++++-----
 1 file changed, 6 insertions(+), 5 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 390c4e217a..c4074458ea 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -370,7 +370,7 @@ def groupwise_neutron_flux_fw(
         """
         c1, c2 = self.integration_constants[n][:2]
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
-        x_l_fw = abs(x) / l_fw
+        x_l_fw = abs(x * 100) / l_fw
         return c1 * np.exp(x_l_fw) + c2 * np.exp(-x_l_fw)
 
     @summarize_values
@@ -398,7 +398,7 @@ def groupwise_neutron_flux_bz(
         """
         c3, c4 = self.integration_constants[n][2:]
         l_bz = np.sqrt(abs(self.l_bz_2[n]))
-        x_l_bz = abs(x) / l_bz
+        x_l_bz = abs(x * 100) / l_bz
         return c3 * np.exp(x_l_bz) + c4 * np.exp(-x_l_bz)
 
     @summarize_values
@@ -425,10 +425,11 @@ def groupwise_neutron_flux_at(
         """
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
-        x = np.asarray(x) * 100
-        in_fw = abs(x) <= self.x_fw_cm
+        x = np.asarray(x)
+        in_fw = abs(x * 100) <= self.x_fw_cm
         in_bz = np.logical_and(
-            self.x_fw_cm < abs(x), abs(x) <= self.extended_boundary[n]
+            self.x_fw_cm < abs(x * 100),
+            abs(x * 100) <= self.extended_boundary[n],
         )
         if (~np.logical_or(in_fw, in_bz)).any():
             raise ValueError(

From 4aba6ef018c52e15f1d299a9ad21c753294f1740 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 30 Oct 2025 16:14:13 +0000
Subject: [PATCH 20/98] ruff fix

---
 process/neutronics_data.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index 1a9d3db150..b7113bfb67 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -206,7 +206,7 @@ def __post_init__(self):
         self.group_structure = np.array(self.group_structure, dtype=float)
         self.avg_atomic_mass = float(self.avg_atomic_mass)
 
-        if np.diff(self.group_structure)>=0:
+        if np.diff(self.group_structure) >= 0:
             raise ValueError(
                 "The group structure must be defined beginning from the highest energy "
                 "bin (i.e. lowest lethargy bin) edge, descending to the lowest energy. "

From 0e1c8cfb2e94afd620e6aeab1441c60ecc20f953 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 30 Oct 2025 16:27:29 +0000
Subject: [PATCH 21/98] Quality of life things: (clarify non-scattering into
 'exclude elastic-scattering'.

---
 process/neutronics.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index c4074458ea..4a750a8124 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -453,12 +453,12 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
             Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         reaction_type:
-            Two options: "total" or "non-scattering".
+            Two options: "total" or "exclude elastic-scattering".
 
         """
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
         c1, c2, c3, c4 = self.integration_constants[n]
-        if reaction_type == "non-scattering":
+        if reaction_type == "exclude elastic-scattering":
             sigma = self.fw_mat.sigma_t[n] - self.fw_mat.sigma_s[n, n]
         elif reaction_type == "total":
             sigma = self.fw_mat.sigma_t[n]
@@ -480,12 +480,12 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
             Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         reaction_type:
-            Two options: "total" or "non-scattering".
+            Two options: "total" or "exclude elastic-scattering".
 
         """
         l_bz = np.sqrt(abs(self.l_bz_2[n]))
         c1, c2, c3, c4 = self.integration_constants[n]
-        if reaction_type == "non-scattering":
+        if reaction_type == "exclude elastic-scattering":
             sigma = self.bz_mat.sigma_t[n] - self.bz_mat.sigma_s[n, n]
         elif reaction_type == "total":
             sigma = self.bz_mat.sigma_t[n]

From 61c8cf056c753edfe4d0da0ae87bc9bd4567f1f1 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 31 Oct 2025 14:47:35 +0000
Subject: [PATCH 22/98] Allowed source macroscopic cross-section matrix to be
 larger than the total macroscopic cross-section (due to breeding)

---
 process/neutronics_data.py    | 34 +++++++++++++++++++++++-----------
 tests/unit/test_neutronics.py | 10 ----------
 2 files changed, 23 insertions(+), 21 deletions(-)

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index b7113bfb67..2293294d60 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -191,16 +191,33 @@ def __call__(self, x):
 
 @dataclass
 class MaterialMacroInfo:
-    """Material information"""
+    """
+    Material information.
 
-    sigma_t: npt.NDArray[np.float64]  # Sigma_total, 1D array of len = n
-    sigma_s: npt.NDArray  # Sigma_scattering from group i to j, 2D array of n*n
-    group_structure: npt.NDArray  # energy bin edges, 1D array of len = n+1
-    avg_atomic_mass: float  # average atomic mass (weighted by fraction)
+    Parameters
+    ----------
+    sigma_t:
+        total macroscopic cross-section, 1D array of len = n.
+    sigma_s:
+        Source matrix, 2D array of shape (n, n). Includes a sum of the
+        scattering matrix and multiplying matrix. Scattering matrix is the
+        macroscopic scattering cross-section from group i to j, and the
+        multiplying matrix is the macroscopic cross-section for production of
+        group j neutrons due to group i neutrons.
+    group_structure:
+        energy bin edges, 1D array of len = n+1
+    avg_atomic_mass:
+        average atomic mass (weighted by fraction)
+    """
+
+    sigma_t: npt.NDArray[np.float64]
+    sigma_s: npt.NDArray
+    group_structure: npt.NDArray
+    avg_atomic_mass: float
 
     def __post_init__(self):
         """Validation to confirm the shape is correct."""
-        # force into float or numpy arrays.
+        # force into float or numpy arrays of floats.
         self.sigma_t = np.array(self.sigma_t, dtype=float)
         self.sigma_s = np.array(self.sigma_s, dtype=float)
         self.group_structure = np.array(self.group_structure, dtype=float)
@@ -224,11 +241,6 @@ def __post_init__(self):
                 "Group-wise scattering cross-sections be a square matrix of "
                 f"shape n*n, where n= number of groups = {self.n_groups}."
             )
-        if (self.sigma_s.sum(axis=1) > self.sigma_t).any():
-            raise ProcessValidationError(
-                "Each group's scattering cross-section should be smaller than "
-                "or equal to its total cross-section."
-            )
 
     @property
     def n_groups(self):
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index f5f997a409..124a957a8c 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -5,16 +5,6 @@
 from process.neutronics_data import MaterialMacroInfo
 
 
-def test_scattering_larger_than_total():
-    with pytest.raises(ProcessValidationError):
-        MaterialMacroInfo(
-            [1.0],
-            [[2.0]],
-            [1.0, 2.0],
-            1,
-        )
-
-
 def test_group_structure_too_short():
     with pytest.raises(ProcessValidationError):
         MaterialMacroInfo(

From eef85fa110188fbfbce32366fd23121c7762ad67 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 31 Oct 2025 18:15:09 +0000
Subject: [PATCH 23/98] Added a property 'downscatter_only' which helps quickly
 determine if the transport problem is solvable without iterations.

---
 process/neutronics_data.py | 29 ++++++++++++++++++++++++++---
 1 file changed, 26 insertions(+), 3 deletions(-)

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index 2293294d60..93a5372b18 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -200,10 +200,15 @@ class MaterialMacroInfo:
         total macroscopic cross-section, 1D array of len = n.
     sigma_s:
         Source matrix, 2D array of shape (n, n). Includes a sum of the
-        scattering matrix and multiplying matrix. Scattering matrix is the
+        scattering matrix and n2n matrix. Scattering matrix is the
         macroscopic scattering cross-section from group i to j, and the
-        multiplying matrix is the macroscopic cross-section for production of
-        group j neutrons due to group i neutrons.
+        n2n matrix is the macroscopic cross-section for production of
+        group j neutrons due to group i neutrons. It should be
+        mostly-upper-triangular, i.e. the lower triangle must have small values
+        compared to the average macroscopic cross-section value of the matrix.
+
+        e.g. [0,3] would be the cross-section for proudction of group 4 neutrons
+        due to reactions (scattering and n2n) caused by group 1 neutrons.
     group_structure:
         energy bin edges, 1D array of len = n+1
     avg_atomic_mass:
@@ -249,6 +254,24 @@ def n_groups(self):
             self._n_groups = len(self.group_structure) - 1
         return self._n_groups
 
+    @property
+    def downscatter_only(self):
+        """
+        Checks if the source matrix suggests that neutrons from each group can
+        only cause neutrons to be born in higher-lethargy (lower energy) groups.
+
+        If True, the transport equation can be solved acyclically, from low
+        to high lethargy groups in a single-pass.
+
+        If False, and the transport equation will need to be solved iteratively,
+        as neutron fluxes in higher-lethargy groups in turn affects the neutron
+        flux in lower-lethargy groups.
+        """
+        return ~self.contains_upscatter
+
+    @property
+    def contains_upscatter(self):
+        return np.tril(self.sigma_s, k=-1).any()
 
 def get_material_nuclear_data(
     material: str, group_structure: list[float]

From 1179f5e17c9157db4d4bd725e6b7604ecb3fef14 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 31 Oct 2025 18:48:02 +0000
Subject: [PATCH 24/98] Clean up to make four separate dictionaries:
 micro_total_xs, micro_scattering_xs, micro_n2n_xs, micro_fiss_xs, to make the
 code more readable.

---
 process/neutronics_data.py | 258 ++++++++++++++++++++++++-------------
 1 file changed, 167 insertions(+), 91 deletions(-)

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index 93a5372b18..fe23a0915a 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -43,10 +43,11 @@ def get_avg_atomic_mass(composition: dict[str, float]) -> float:
     )
 
 
-material_density_data_bank = ...
-material_composition_data_bank = ...
+material_density_data_bank = {"stainless steel": {"Fe": 6.0}}
+material_composition_data_bank = {"stainless steel": {"Fe60": 1.0}}
 xs_data_bank = ...
 breeding_xs_data_bank = ...
+fission_xs_data_bank = ...
 
 
 def calculate_average_macro_xs(
@@ -68,9 +69,15 @@ def calculate_average_macro_xs(
         A dictionary of each species, and their microscopic cross-sections, given in
         [barns].
         Given in the format {'species': float(microscopic cross-section)}.
+        Possible to have some missing values here.
     density:
         Density of the medium, given in [g/cm^3]
 
+    Returns
+    -------
+    :
+        macroscopic cross-section of the material.
+
     Notes
     -----
     .. math::
@@ -80,29 +87,30 @@ def calculate_average_macro_xs(
 
     total_fraction = sum(composition.values())
     weighted_micro_xs, weighted_atomic_mass = [], []
-    if composition.keys() != micro_xs.keys():
+    if extra_species:=set(micro_xs.keys()).difference(set(composition.keys())):
         raise KeyError(
-            "The two dictionaries 'composition' and 'micro_xs' must have matching keys."
+            f"micro_xs contains species not specified by the composition: {extra_species}"
         )
     for species, fraction in composition.items():
-        normalized_fraction = fraction / total_fraction
-        weighted_atomic_mass.append(
-            normalized_fraction * extract_atomic_mass(species)
-        )
-        weighted_micro_xs.append(normalized_fraction * micro_xs[species])
+        if species in micro_xs:
+            frac = fraction / total_fraction
+
+            weighted_atomic_mass.append(frac * extract_atomic_mass(species))
+            weighted_micro_xs.append(frac * micro_xs[species])
+
     avg_sigma = np.sum(weighted_micro_xs, axis=0)
     avg_mass_amu = sum(weighted_atomic_mass)
-    return (
-        (BARNS_CM2 * N_A) / avg_mass_amu * avg_sigma * density
-    )  # N_A/A * rho * sigma
+
+    # N_A/A * rho * sigma
+    return N_A / avg_mass_amu * density * (avg_sigma * BARNS_CM2)
 
 
 def discretize_xs(
-    continuous_xs, group_structure: list[float]
+    continuous_xs, group_structure: npt.NDArray[np.float64]
 ) -> npt.NDArray[np.float64]:
     """
     Discretise a continuous cross-section function into a group structure of n discrete
-    flaots.
+    floats. This is done by taking the average xs per bin. (assuming constant-lethargy within bin.)
 
     Parameters
     ----------
@@ -116,12 +124,107 @@ def discretize_xs(
     -------
     :
         microscopic cross-section values discretized according to the group structure.
+        1D array.
+    """
+    lethargy = np.log10(group_structure)
+    lower_leth, upper_leth = lethargy[:-1], lethargy[1:]
+    leth_spacing = np.diff(lethargy)
+    continuous_xs_lethargy_input = lambda e: continuous_xs(10**-e)
+
+    return integrate(continuous_xs_lethargy_input, lower_leth, upper_leth)/leth_spacing
+
+def discretize_scattering_xs(
+    continuous_xs, group_structure: npt.NDArray[np.float64], atomic_mass: float
+) -> npt.NDArray:
+    """
+    Discretize a scattering macroscopic cross-section from a continuous
+    function into a numpy array of len==len(group_structure)-1.
+
+    Parameters
+    ----------
+    continuous_xs:
+        continuous microscopic scattering cross-section function to be discretized.
+    group_structure:
+        group structure of neutron energies, the n+1 energy bin boundaries for the n
+        neutron groups, in descending energies.
+
+    Returns
+    -------
+    :
+        microscopic scattering cross-section values discretized according to the
+        group structure. 2D array, where element [i,j] is proportional to the
+        probability of scattering neutrons from bin i to bin j.
+    """
+    return (
+        discretize_xs(continuous_xs, group_structure) *
+        scattering_weight_matrix(group_structure, atomic_mass).T
+    ).T
+
+def discretize_n2n_xs(
+    continuous_xs, group_structure: npt.NDArray[np.float64], q_value: float
+) -> npt.NDArray:
+    """
+    Discretize a n2n reaction macroscopic cross-section from a continuous
+    function into a numpy array of len==len(group_structure)-1.
+
+    Parameters
+    ----------
+    continuous_xs:
+        continuous cross-section function to be discretized.
+    group_structure:
+        group structure of neutron energies, the n+1 energy bin boundaries for the n
+        neutron groups, in descending energies.
+
+    Returns
+    -------
+    :
+        microscopic n2n reaction cross-section values discretized according to the
+        group structure. 2D array, where element [i,j] is proportional to the
+        probability of n2n neutrons being born into bin j due to a reaction
+        caused by a neutron in bin i.
     """
-    return group_structure, continuous_xs
+    return (
+        discretize_xs(continuous_xs, group_structure) * 2 *
+        n2n_weight_matrix(group_structure, atomic_mass).T
+    ).T
+
+def discretize_fission_xs(
+    continuous_xs, group_structure: npt.NDArray[np.float64],
+    fission_spectrum_continuous, num_neutrons: float,
+) -> npt.NDArray:
+    """
+    Discretize a fission macroscopic cross-section from a continuous
+    function into a numpy array of len==len(group_structure)-1.
+
+    Parameters
+    ----------
+    continuous_xs:
+        continuous cross-section function to be discretized.
+    group_structure:
+        group structure of neutron energies, the n+1 energy bin boundaries for the n
+        neutron groups, in descending energies.
+    fission_spectrum_continuous:
+        The neutron spectrum formed by the fission neutrons (e.g. the Watt spectrum)
+        as a continuous, integrable function.
 
+    Returns
+    -------
+    :
+        microscopic fission cross-section values discretized according to the
+        group structure. 2D array, where element [i,j] is proportional to the
+        probability of a fission neutron being born into bin j due to a reaction
+        caused by a neutron in bin i.
+    """
+    fiss_spec = integrate(fission_spectrum_continuous, group_structure)
+
+    scaled_fission_spectrum = fiss_spec/fiss_spec.sum() * num_neutrons
+    return np.outer(
+        discretize_xs(continuous_xs, group_structure),
+        scaled_fission_spectrum,
+    )
 
 def scattering_weight_matrix(
-    group_structure: list[float], atomic_mass: float
+    group_structure: npt.NDArray[np.float64], atomic_mass: float
 ) -> npt.NDArray:
     """
     Parameters
@@ -134,59 +237,38 @@ def scattering_weight_matrix(
     Returns
     -------
     :
-        A lower triangular matrix, where the i-th row contains the normalized weights for
+        An upper triangular matrix, where the i-th row contains the normalized weights for
         scattering down from the i-th bin to the j-th bin. The main-diagonal contains
         the self-scattering cross-section.
         e.g. [2,1] would be the fraction of elastic scattering reactions that causes
         neutrons from group 3 to scatter into group 2.
-        The upper triangle must be all zeros.
+        The lower triangle must be all zeros.
         np.sum(axis=1) == np.ones(len(group_structure)-1).
     """
     return atomic_mass, group_structure
 
 
-def expand_macro_neutron_multiplication_xs_into_matrix(
-    discrete_n2n_xs: npt.NDArray[np.float64],
-    group_structure: list[float],
-    q_value: float,
+def n2n_weight_matrix(
+    group_structure: npt.NDArray[np.float64], q_value: float
 ) -> npt.NDArray:
-    """Instead of only having the macroscopic cross-section values for the (n,2n)
-    reaction for each group, calculate the macroscopic cross-section of neutron in the
-    [i]-th bin producing a neutron in the [j]-bin, recorded as the [i,j] element in the
-    matrix.
-
+    """
     Parameters
     ----------
-    discrete_n2n_xs:
-        The group-wise macroscopic cross-section for the n2n reaction.
-        A 1D numpy array, with len==number of neutron groups.
     group_structure:
-        The n+1 energy bin boundaries for the n neutron groups, in descending energies.
+        the n+1 energy bin boundaries for the n neutron groups, in descending energies,
+        in eV.
     q_value:
-        The difference in q-value.
+        the q-value of the reaction in eV.
 
     Returns
     -------
     :
-        A macroscopic neutron multiplication cross-section matrix, such that each row
-        should sum to = 2 * discrete_n2n_xs (since two neutrons should be produced per
-        neutron consumed in the (n,2n) reaction).
-
-    Notes
-    -----
-    This is a three body problem. TODO: further investigation is needed to figure out
-    how to distribute the two outputted neutron's energies!
+        A macroscopic cross-section matrix, where the j-th column of the i-th row
+        expresses the probability of one of the n2n neutrons trigged by a i-th
+        bin neutron ends up in the j-th bin.
+        np.sum(axis=1) == np.ones(len(group_structure)-1).
     """
-
-
-class ZeroContinuousFunc:
-    """A dummy class that returns 0 whenever called."""
-
-    def __call__(self, x):
-        """Return 0 for al cases."""
-        if np.isscalar(x):
-            return 0.0
-        return np.zeros_like(x)
+    return
 
 
 @dataclass
@@ -210,7 +292,7 @@ class MaterialMacroInfo:
         e.g. [0,3] would be the cross-section for proudction of group 4 neutrons
         due to reactions (scattering and n2n) caused by group 1 neutrons.
     group_structure:
-        energy bin edges, 1D array of len = n+1
+        energy bin edges, 1D array of len = n+1, in eV.
     avg_atomic_mass:
         average atomic mass (weighted by fraction)
     """
@@ -225,7 +307,7 @@ def __post_init__(self):
         # force into float or numpy arrays of floats.
         self.sigma_t = np.array(self.sigma_t, dtype=float)
         self.sigma_s = np.array(self.sigma_s, dtype=float)
-        self.group_structure = np.array(self.group_structure, dtype=float)
+        self.group_structure = np.clip(self.group_structure, 1E-9, np.inf)
         self.avg_atomic_mass = float(self.avg_atomic_mass)
 
         if np.diff(self.group_structure) >= 0:
@@ -274,7 +356,7 @@ def contains_upscatter(self):
         return np.tril(self.sigma_s, k=-1).any()
 
 def get_material_nuclear_data(
-    material: str, group_structure: list[float]
+    material: str, group_structure: npt.NDArray[np.float64]
 ) -> MaterialMacroInfo:
     """
     The constants that is directly used.
@@ -288,14 +370,10 @@ def get_material_nuclear_data(
 
     Returns
     -------
-    discrete_macro_total_xs:
-        All group-wise total cross-sections, given in ascending order.
-    macroscopic scattering cross-section matrix:
-        A lower-triangular matrix of total scattering cross-sections,
-        e.g. [2,1] would be the scattering cross-section from neutron group 3 to group 2.
-        The upper triangle MUST be zeros.
-    avg_atomic_mass:
-        average atomic mass, used for further calcuations
+    :
+        MaterialMacroInfo encapsulating the total macroscopic cross-section,
+        source (i.e. scattering + n2n) macroscopic cross-section, group structure
+        (same as the input group structure) and average atomic mass number.
 
     Notes
     -----
@@ -307,26 +385,32 @@ def get_material_nuclear_data(
     composition = material_composition_data_bank[material]
     avg_atomic_mass = get_avg_atomic_mass(composition)
 
-    # dicts of {"isotope": npt.NDArray[np.float64] 1D arrays}
-    micro_total_xs = {}
-    micro_scattering_xs = {}
-    micro_n2n_xs = {}
+    # dicts of {"isotope": npt.NDArray[np.float64] 1D/2D arrays}
+    micro_total_xs, micro_scattering_xs, micro_n2n_xs = {}, {}, {}
+
     for species in composition:
-        total_xs_continuous, elastic_scattering_xs_continuous = xs_data_bank[
-            species
-        ]
-        n2n_xs_continuous = breeding_xs_data_bank.get(
-            species, ZeroContinuousFunc
-        )
+        total_xs_continuous, elastic_scattering_xs_continuous = xs_data_bank[species]
+
         micro_total_xs[species] = discretize_xs(
             total_xs_continuous, group_structure
         )
-        micro_scattering_xs[species] = discretize_xs(
-            elastic_scattering_xs_continuous, group_structure
-        )
-        micro_n2n_xs[species] = discretize_xs(
-            n2n_xs_continuous, group_structure
+        micro_scattering_xs[species] = discretize_scattering_xs(
+            elastic_scattering_xs_continuous,
+            group_structure,
+            extract_atomic_mass(species),
+
         )
+        if species in breeding_xs_data_bank:
+            n2n_xs_continuous, q_value = breeding_xs_data_bank[species]
+            micro_n2n_xs[species] = discretize_n2n_xs(
+                n2n_xs_continuous, group_structure, q_value,
+            )
+        if species in fission_xs_data_bank:
+            fission_xs_continuous, fission_spectrum_continuous, num_neutrons_per_fission = fission_xs_data_bank[species]
+            micro_fiss_xs[species] = discretize_fission_xs(
+                fission_xs_continuous, group_structure,
+                fission_spectrum_continuous, num_neutrons_per_fission,
+            )
 
     discrete_macro_total_xs = calculate_average_macro_xs(
         composition, micro_total_xs, density
@@ -334,21 +418,13 @@ def get_material_nuclear_data(
     discrete_macro_scattering_xs = calculate_average_macro_xs(
         composition, micro_scattering_xs, density
     )
-    source_matrix = (
-        scattering_weight_matrix(group_structure, avg_atomic_mass).T
-        * discrete_macro_scattering_xs
-    ).T
-    n2n_susceptible_species = ...
-    for (
-        modified_composition_file,
-        modified_density,
-        q_value,
-    ) in n2n_susceptible_species:
-        source_matrix += expand_macro_neutron_multiplication_xs_into_matrix(
-            calculate_average_macro_xs(composition, micro_n2n_xs, density),
-            group_structure,
-            q_value,
-        )
+    discrete_macro_n2n_xs = calculate_average_macro_xs(
+        composition, micro_n2n_xs, density
+    )
+    discrete_macro_fission_xs = calculate_average_macro_xs(
+        composition, micro_fiss_xs, density
+    )
+    source_matrix = discrete_macro_scattering_xs + discrete_macro_n2n_xs + discrete_macro_fission_xs
 
     return MaterialMacroInfo(
         discrete_macro_total_xs,

From 5e3b631c85028e3fdb9a9fa427d0e93f2b1c7dbe Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 31 Oct 2025 18:55:49 +0000
Subject: [PATCH 25/98] Ruff fixes.

---
 process/neutronics.py      | 10 ++++++
 process/neutronics_data.py | 71 +++++++++++++++++++++++++++-----------
 2 files changed, 61 insertions(+), 20 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 4a750a8124..03f2490c8a 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -457,6 +457,11 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
 
         """
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
+        if n > 0:
+            raise NotImplementedError(
+                "We have not done the integration for "
+                "higher energy groups' fluxes yet."
+            )
         c1, c2, c3, c4 = self.integration_constants[n]
         if reaction_type == "exclude elastic-scattering":
             sigma = self.fw_mat.sigma_t[n] - self.fw_mat.sigma_s[n, n]
@@ -484,6 +489,11 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
 
         """
         l_bz = np.sqrt(abs(self.l_bz_2[n]))
+        if n > 0:
+            raise NotImplementedError(
+                "We have not done the integration for "
+                "higher energy groups' fluxes yet."
+            )
         c1, c2, c3, c4 = self.integration_constants[n]
         if reaction_type == "exclude elastic-scattering":
             sigma = self.bz_mat.sigma_t[n] - self.bz_mat.sigma_s[n, n]
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index fe23a0915a..cb6540d714 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -87,7 +87,9 @@ def calculate_average_macro_xs(
 
     total_fraction = sum(composition.values())
     weighted_micro_xs, weighted_atomic_mass = [], []
-    if extra_species:=set(micro_xs.keys()).difference(set(composition.keys())):
+    if extra_species := set(micro_xs.keys()).difference(
+        set(composition.keys())
+    ):
         raise KeyError(
             f"micro_xs contains species not specified by the composition: {extra_species}"
         )
@@ -126,12 +128,18 @@ def discretize_xs(
         microscopic cross-section values discretized according to the group structure.
         1D array.
     """
-    lethargy = np.log10(group_structure)
+    lethargy = -np.log(group_structure)
     lower_leth, upper_leth = lethargy[:-1], lethargy[1:]
     leth_spacing = np.diff(lethargy)
-    continuous_xs_lethargy_input = lambda e: continuous_xs(10**-e)
 
-    return integrate(continuous_xs_lethargy_input, lower_leth, upper_leth)/leth_spacing
+    def continuous_xs_lethargy_input(lethargy):
+        return continuous_xs(np.exp(-lethargy))
+
+    return (
+        integrate(continuous_xs_lethargy_input, lower_leth, upper_leth)
+        / leth_spacing
+    )
+
 
 def discretize_scattering_xs(
     continuous_xs, group_structure: npt.NDArray[np.float64], atomic_mass: float
@@ -156,10 +164,11 @@ def discretize_scattering_xs(
         probability of scattering neutrons from bin i to bin j.
     """
     return (
-        discretize_xs(continuous_xs, group_structure) *
-        scattering_weight_matrix(group_structure, atomic_mass).T
+        discretize_xs(continuous_xs, group_structure)
+        * scattering_weight_matrix(group_structure, atomic_mass).T
     ).T
 
+
 def discretize_n2n_xs(
     continuous_xs, group_structure: npt.NDArray[np.float64], q_value: float
 ) -> npt.NDArray:
@@ -184,13 +193,17 @@ def discretize_n2n_xs(
         caused by a neutron in bin i.
     """
     return (
-        discretize_xs(continuous_xs, group_structure) * 2 *
-        n2n_weight_matrix(group_structure, atomic_mass).T
+        discretize_xs(continuous_xs, group_structure)
+        * 2
+        * n2n_weight_matrix(group_structure, q_value).T
     ).T
 
+
 def discretize_fission_xs(
-    continuous_xs, group_structure: npt.NDArray[np.float64],
-    fission_spectrum_continuous, num_neutrons: float,
+    continuous_xs,
+    group_structure: npt.NDArray[np.float64],
+    fission_spectrum_continuous,
+    num_neutrons: float,
 ) -> npt.NDArray:
     """
     Discretize a fission macroscopic cross-section from a continuous
@@ -217,12 +230,13 @@ def discretize_fission_xs(
     """
     fiss_spec = integrate(fission_spectrum_continuous, group_structure)
 
-    scaled_fission_spectrum = fiss_spec/fiss_spec.sum() * num_neutrons
+    scaled_fission_spectrum = fiss_spec / fiss_spec.sum() * num_neutrons
     return np.outer(
         discretize_xs(continuous_xs, group_structure),
         scaled_fission_spectrum,
     )
 
+
 def scattering_weight_matrix(
     group_structure: npt.NDArray[np.float64], atomic_mass: float
 ) -> npt.NDArray:
@@ -307,7 +321,7 @@ def __post_init__(self):
         # force into float or numpy arrays of floats.
         self.sigma_t = np.array(self.sigma_t, dtype=float)
         self.sigma_s = np.array(self.sigma_s, dtype=float)
-        self.group_structure = np.clip(self.group_structure, 1E-9, np.inf)
+        self.group_structure = np.clip(self.group_structure, 1e-9, np.inf)
         self.avg_atomic_mass = float(self.avg_atomic_mass)
 
         if np.diff(self.group_structure) >= 0:
@@ -355,6 +369,7 @@ def downscatter_only(self):
     def contains_upscatter(self):
         return np.tril(self.sigma_s, k=-1).any()
 
+
 def get_material_nuclear_data(
     material: str, group_structure: npt.NDArray[np.float64]
 ) -> MaterialMacroInfo:
@@ -386,10 +401,15 @@ def get_material_nuclear_data(
     avg_atomic_mass = get_avg_atomic_mass(composition)
 
     # dicts of {"isotope": npt.NDArray[np.float64] 1D/2D arrays}
-    micro_total_xs, micro_scattering_xs, micro_n2n_xs = {}, {}, {}
+    micro_total_xs = {}
+    micro_scattering_xs = {}
+    micro_n2n_xs = {}
+    micro_fiss_xs = {}
 
     for species in composition:
-        total_xs_continuous, elastic_scattering_xs_continuous = xs_data_bank[species]
+        total_xs_continuous, elastic_scattering_xs_continuous = xs_data_bank[
+            species
+        ]
 
         micro_total_xs[species] = discretize_xs(
             total_xs_continuous, group_structure
@@ -398,18 +418,25 @@ def get_material_nuclear_data(
             elastic_scattering_xs_continuous,
             group_structure,
             extract_atomic_mass(species),
-
         )
         if species in breeding_xs_data_bank:
             n2n_xs_continuous, q_value = breeding_xs_data_bank[species]
             micro_n2n_xs[species] = discretize_n2n_xs(
-                n2n_xs_continuous, group_structure, q_value,
+                n2n_xs_continuous,
+                group_structure,
+                q_value,
             )
         if species in fission_xs_data_bank:
-            fission_xs_continuous, fission_spectrum_continuous, num_neutrons_per_fission = fission_xs_data_bank[species]
+            (
+                fission_xs_continuous,
+                fission_spectrum_continuous,
+                num_neutrons_per_fission,
+            ) = fission_xs_data_bank[species]
             micro_fiss_xs[species] = discretize_fission_xs(
-                fission_xs_continuous, group_structure,
-                fission_spectrum_continuous, num_neutrons_per_fission,
+                fission_xs_continuous,
+                group_structure,
+                fission_spectrum_continuous,
+                num_neutrons_per_fission,
             )
 
     discrete_macro_total_xs = calculate_average_macro_xs(
@@ -424,7 +451,11 @@ def get_material_nuclear_data(
     discrete_macro_fission_xs = calculate_average_macro_xs(
         composition, micro_fiss_xs, density
     )
-    source_matrix = discrete_macro_scattering_xs + discrete_macro_n2n_xs + discrete_macro_fission_xs
+    source_matrix = (
+        discrete_macro_scattering_xs
+        + discrete_macro_n2n_xs
+        + discrete_macro_fission_xs
+    )
 
     return MaterialMacroInfo(
         discrete_macro_total_xs,

From 461ba6f6b41f7e90f7dbb6ada1dc3bb5b1818bc0 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 5 Nov 2025 16:23:19 +0000
Subject: [PATCH 26/98] Created the scattering matrix, and tested it. Next on
 the to-do list: n2n matrix.

---
 process/neutronics_data.py         | 140 ++++++++++++++++++++++++++++-
 tests/unit/test_neutronics_data.py |  27 ++++++
 2 files changed, 163 insertions(+), 4 deletions(-)
 create mode 100644 tests/unit/test_neutronics_data.py

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index cb6540d714..a5ff5824ed 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -1,5 +1,5 @@
 from dataclasses import dataclass
-from itertools import islice
+from itertools import islice, pairwise
 from pathlib import Path
 
 import numpy as np
@@ -237,6 +237,10 @@ def discretize_fission_xs(
     )
 
 
+def _get_alpha(atomic_mass: float):
+    return ((atomic_mass - 1) / (atomic_mass + 1)) ** 2
+
+
 def scattering_weight_matrix(
     group_structure: npt.NDArray[np.float64], atomic_mass: float
 ) -> npt.NDArray:
@@ -259,7 +263,133 @@ def scattering_weight_matrix(
         The lower triangle must be all zeros.
         np.sum(axis=1) == np.ones(len(group_structure)-1).
     """
-    return atomic_mass, group_structure
+
+    alpha = _get_alpha(atomic_mass)
+    n_groups = len(group_structure) - 1
+    matrix = np.zeros([n_groups, n_groups], dtype=float)
+    for i, in_group in enumerate(pairwise(group_structure)):
+        for g, out_group in enumerate(pairwise(group_structure)):
+            if i == g:
+                for energy_limits, case_descr in _split_into_energy_limits(
+                    alpha, in_group
+                ):
+                    matrix[i, g] += _convolved_scattering_fraction(
+                        energy_limits, alpha, in_group, out_group, case_descr
+                    )
+            elif i < g:
+                for energy_limits, case_descr in _split_into_energy_limits(
+                    alpha, in_group, out_group
+                ):
+                    matrix[i, g] += _convolved_scattering_fraction(
+                        energy_limits, alpha, in_group, out_group, case_descr
+                    )
+    return matrix
+
+
+def _split_into_energy_limits(
+    alpha,
+    in_group: tuple[float, float],
+    out_group: tuple[float, float] | None = None,
+):
+    """
+    Spit out a list of integration limits to be used by _convolved_scattering_fraction.
+
+    Parameters
+    ----------
+    alpha:
+        Parameters
+    in_group:
+        Descending energy bounds of the input group. Scattering neutrons are
+        generated from this energy group. (e_i1, e_i)
+    out_group:
+        Descending energy bounds of the output group. Scattering neutrons are
+        born into this energy group. (e_g1, e_g)
+
+    Returns
+    -------
+    :
+        list of 2-tuples, each two tuple contains the following items:
+    energy_limits:
+        A tuple of two floats in descending order, describing the integration
+        limits.
+    case_descr:
+        A string to describe which case it belongs to.
+    """
+    e_i1, e_i = in_group
+    max_min_scattered_energy = alpha * e_i1
+    min_min_scattered_energy = alpha * e_i
+
+    if not out_group:
+        # min_min_scattered_energy < e_i < max_min_scattered_energy < e_i1
+        if (alpha > 0) and (e_i < max_min_scattered_energy):
+            mid_e = min(e_i / alpha, e_i1)
+            return [
+                ((e_i1, mid_e), "self, complete"),
+                ((mid_e, e_i), "self, upper-half"),
+            ]
+        # min_min_scattered_energy < max_min_scattered_energy < e_i < e_i1
+        return [((e_i1, e_i), "self, upper-half")]
+    e_g1, e_g = out_group
+    if alpha == 0:
+        # min_min_scattered_energy < max_min_scattered_energy < e_g < e_g1
+        return [((e_i1, e_i), "down, middle")]
+
+    top_e = min(e_g1 / alpha, e_i1)
+    mid_e = min(e_g / alpha, e_i1)
+
+    # e_g < e_g1 < min_min_scattered_energy < max_min_scattered_energy
+    if e_g1 <= min_min_scattered_energy:
+        return []
+
+    # e_g < min_min_scattered_energy < e_g1 < max_min_scattered_energy
+    # e_g < min_min_scattered_energy < max_min_scattered_energy < e_g1
+    if e_g <= min_min_scattered_energy:
+        return [((top_e, e_i), "down, upper-half")]
+
+    # min_min_scattered_energy < e_g < e_g1 < max_min_scattered_energy
+    # min_min_scattered_energy < e_g < max_min_scattered_energy < e_g1
+    if e_g < max_min_scattered_energy:
+        return [
+            ((top_e, mid_e), "down, upper-half"),
+            ((mid_e, e_i), "down, middle"),
+        ]
+
+    # min_min_scattered_energy < max_min_scattered_energy < e_g < e_g1
+    return [((top_e, e_i), "down, middle")]
+
+
+def _convolved_scattering_fraction(
+    energy_limits: tuple[float, float],
+    alpha: float,
+    in_group: tuple[float, float],
+    out_group: tuple[float, float],
+    case_description: str,
+):
+    r"""
+    The fraction of neutron flux from bin i that would get scattered into bin g
+    is calculated as $M_{ig} = \int_{E_{min}}^{E_{max}} flux_i(E) dist(E) dE$,
+    where $flux_i=$ normalized flux (we assume the neutron flux in bin i has
+    constant in per-unit-lethargy space), i.e. follows a 1/E distribution.
+    Hence after intergration, frac is always accompanied by a factor of
+    $1/(ln(E_{i-1}) - ln(E_i))$.
+    """
+    e_max, e_min = energy_limits
+    e_i1, e_i = in_group
+    e_g1, e_g = out_group
+
+    _const = 1 / (np.log(e_i1) - np.log(e_i))
+    _am1i = 1 / (1 - alpha)
+    _diff_log_e = np.log(e_max) - np.log(e_min)
+    _diff_inv_e = 1 / e_min - 1 / e_max
+    match case_description:
+        case "self, complete":
+            return _const * _diff_log_e
+        case "self, upper-half":
+            return _const * _am1i * (_diff_log_e - e_g * _diff_inv_e)
+        case "down, upper-half":
+            return _const * _am1i * -(alpha * _diff_log_e - e_g1 * _diff_inv_e)
+        case "down, middle":
+            return _const * _am1i * (e_g1 - e_g) * _diff_inv_e
 
 
 def n2n_weight_matrix(
@@ -282,7 +412,9 @@ def n2n_weight_matrix(
         bin neutron ends up in the j-th bin.
         np.sum(axis=1) == np.ones(len(group_structure)-1).
     """
-    return
+    # Assume that the two neutrons would share the resulting energy evenly, i.e.
+    # a flat line.
+    return q_value, group_structure
 
 
 @dataclass
@@ -324,7 +456,7 @@ def __post_init__(self):
         self.group_structure = np.clip(self.group_structure, 1e-9, np.inf)
         self.avg_atomic_mass = float(self.avg_atomic_mass)
 
-        if np.diff(self.group_structure) >= 0:
+        if np.diff(self.group_structure) > 0:
             raise ValueError(
                 "The group structure must be defined beginning from the highest energy "
                 "bin (i.e. lowest lethargy bin) edge, descending to the lowest energy. "
diff --git a/tests/unit/test_neutronics_data.py b/tests/unit/test_neutronics_data.py
new file mode 100644
index 0000000000..0d6b33dd54
--- /dev/null
+++ b/tests/unit/test_neutronics_data.py
@@ -0,0 +1,27 @@
+import pytest
+import numpy as np
+from numpy import typing as npt
+
+from process.neutronics_data import scattering_weight_matrix, _convolved_scattering_fraction
+
+np.random.seed(1)
+@pytest.mark.parametrize("group_structure, atomic_mass",
+    [
+        (np.cumsum(100**abs(np.random.randn(5)))[::-1], np.random.rand()*200),
+        (np.cumsum(100**abs(np.random.randn(10)))[::-1], np.random.rand()*239),
+        (np.cumsum(100**abs(np.random.randn(20)))[::-1], np.random.rand()*150),
+        (np.cumsum(100**abs(np.random.randn(30)))[::-1], 1),
+        (np.cumsum(100**abs(np.random.randn(40)))[::-1], 2),
+    ]
+)
+def test_scattering_matrix(group_structure: npt.NDArray[np.float64], atomic_mass: float):
+    """
+    Check that even randomly generated scattering matrix are normalized
+    and non-negative.
+    """
+    scattering_matrix = scattering_weight_matrix(group_structure, atomic_mass)
+    row_sum = scattering_matrix.sum(axis=1)
+    assert np.logical_or(np.isclose(row_sum, 1, rtol=0), row_sum<1).all(), (
+        "Every row must be unitary or less."
+    )
+    assert (scattering_matrix>=0).all(), "Must be all non-negative."

From a20702660a96ad812fb3ada571c3f36f47b876fd Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 6 Nov 2025 04:22:56 +0000
Subject: [PATCH 27/98] Added the n2n_matrix the feature, and added tests.

---
 process/neutronics_data.py         | 23 ++++++--
 tests/unit/test_neutronics_data.py | 88 ++++++++++++++++++++++++++----
 2 files changed, 95 insertions(+), 16 deletions(-)

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index a5ff5824ed..be927c3633 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -194,7 +194,6 @@ def discretize_n2n_xs(
     """
     return (
         discretize_xs(continuous_xs, group_structure)
-        * 2
         * n2n_weight_matrix(group_structure, q_value).T
     ).T
 
@@ -410,11 +409,27 @@ def n2n_weight_matrix(
         A macroscopic cross-section matrix, where the j-th column of the i-th row
         expresses the probability of one of the n2n neutrons trigged by a i-th
         bin neutron ends up in the j-th bin.
-        np.sum(axis=1) == np.ones(len(group_structure)-1).
+        np.sum(axis=1) <= np.ones(len(group_structure)-1) * 2, i.e. the
+        probability distribution in each row (i.e. i-th bin) is normalized to
+        2, i.e. the number of neutrons.
     """
     # Assume that the two neutrons would share the resulting energy evenly, i.e.
-    # a flat line.
-    return q_value, group_structure
+    # each take half of the neutron
+    # To make things even simpler, we'll assume the neutron flux is
+    shift_e = -q_value / 2
+
+    e_i1, e_i = group_structure[:-1], group_structure[1:]
+    weight = 1 / (np.log(e_i1) - np.log(e_i))
+
+    n_groups = len(group_structure) - 1
+    e_g1 = np.broadcast_to(e_i1, [n_groups, n_groups])
+    e_g = np.broadcast_to(e_i, [n_groups, n_groups])
+
+    e_min = np.clip((e_g + shift_e).T, e_i, e_i1).T
+    e_max = np.clip((e_g1 + shift_e).T, e_min.T, e_i1).T
+
+    matrix = np.log(e_max) - np.log(e_min)
+    return (weight * matrix.T).T
 
 
 @dataclass
diff --git a/tests/unit/test_neutronics_data.py b/tests/unit/test_neutronics_data.py
index 0d6b33dd54..866ced4078 100644
--- a/tests/unit/test_neutronics_data.py
+++ b/tests/unit/test_neutronics_data.py
@@ -1,27 +1,91 @@
-import pytest
 import numpy as np
+import pytest
 from numpy import typing as npt
 
-from process.neutronics_data import scattering_weight_matrix, _convolved_scattering_fraction
+from process.neutronics_data import n2n_weight_matrix, scattering_weight_matrix
 
 np.random.seed(1)
-@pytest.mark.parametrize("group_structure, atomic_mass",
+
+
+@pytest.mark.parametrize(
+    "group_structure, atomic_mass",
     [
-        (np.cumsum(100**abs(np.random.randn(5)))[::-1], np.random.rand()*200),
-        (np.cumsum(100**abs(np.random.randn(10)))[::-1], np.random.rand()*239),
-        (np.cumsum(100**abs(np.random.randn(20)))[::-1], np.random.rand()*150),
-        (np.cumsum(100**abs(np.random.randn(30)))[::-1], 1),
-        (np.cumsum(100**abs(np.random.randn(40)))[::-1], 2),
-    ]
+        (
+            np.cumsum(100 ** abs(np.random.randn(5)))[::-1],
+            np.random.rand() * 200,
+        ),
+        (
+            np.cumsum(100 ** abs(np.random.randn(10)))[::-1],
+            np.random.rand() * 239,
+        ),
+        (
+            np.cumsum(100 ** abs(np.random.randn(20)))[::-1],
+            np.random.rand() * 150,
+        ),
+        (np.cumsum(100 ** abs(np.random.randn(30)))[::-1], 1),
+        (np.cumsum(100 ** abs(np.random.randn(40)))[::-1], 2),
+    ],
 )
-def test_scattering_matrix(group_structure: npt.NDArray[np.float64], atomic_mass: float):
+def test_scattering_matrix(
+    group_structure: npt.NDArray[np.float64], atomic_mass: float
+):
     """
     Check that even randomly generated scattering matrix are normalized
     and non-negative.
     """
     scattering_matrix = scattering_weight_matrix(group_structure, atomic_mass)
     row_sum = scattering_matrix.sum(axis=1)
-    assert np.logical_or(np.isclose(row_sum, 1, rtol=0), row_sum<1).all(), (
+    assert np.logical_or(np.isclose(row_sum, 1, rtol=0), row_sum < 1).all(), (
         "Every row must be unitary or less."
     )
-    assert (scattering_matrix>=0).all(), "Must be all non-negative."
+    assert (scattering_matrix >= 0).all(), "Must be all non-negative."
+
+
+def test_n2n_matrix_neg1():
+    fibo_gs = np.array([8, 5, 3, 2, 1])
+    n2n_matrix = n2n_weight_matrix(fibo_gs, -1)
+    row_sum = n2n_matrix.sum(axis=1)
+    assert np.isclose(
+        row_sum, [1, 1, 1, np.log(2 / 1.5) / np.log(2 / 1)], rtol=0
+    ).all(), "Expected bin 4 to be partially out-of-bounds"
+    assert (n2n_matrix >= 0).all(), "Must be all non-negative."
+
+
+def test_n2n_matrix_neg2():
+    fibo_gs = np.array([8, 5, 3, 2, 1])
+    n2n_matrix = n2n_weight_matrix(fibo_gs, -2)
+    row_sum = n2n_matrix.sum(axis=1)
+    assert np.isclose(row_sum, [1, 1, 1, 0], rtol=0).all(), (
+        "Expected bin 4 to be out-of-bounds"
+    )
+    assert (n2n_matrix >= 0).all(), "Must be all non-negative."
+
+
+def test_n2n_matrix_neg3():
+    fibo_gs = np.array([8, 5, 3, 2, 1])
+    n2n_matrix = n2n_weight_matrix(fibo_gs, -3)
+    row_sum = n2n_matrix.sum(axis=1)
+    assert np.isclose(
+        row_sum, [1, 1, np.log(3 / 2.5) / np.log(3 / 2), 0], rtol=0
+    ).all(), "Expected bin 3 to be partially out-of-bounds"
+    assert (n2n_matrix >= 0).all(), "Must be all non-negative."
+
+
+def test_n2n_matrix_pos3():
+    fibo_gs = np.array([8, 5, 3, 2, 1])
+    n2n_matrix = n2n_weight_matrix(fibo_gs, 3)
+    row_sum = n2n_matrix.sum(axis=1)
+    assert np.isclose(
+        row_sum, [np.log(6.5 / 5) / np.log(8 / 5), 1, 1, 1], rtol=0
+    ).all(), "Expected bin 1 to be partially out-of-bounds"
+    assert (n2n_matrix >= 0).all(), "Must be all non-negative."
+
+
+def test_n2n_matrix_pos6():
+    fibo_gs = np.array([8, 5, 3, 2, 1])
+    n2n_matrix = n2n_weight_matrix(fibo_gs, 6)
+    row_sum = n2n_matrix.sum(axis=1)
+    assert np.isclose(row_sum, [0, 1, 1, 1], rtol=0).all(), (
+        "Expected bin 1 to be completely out-of-bounds"
+    )
+    assert (n2n_matrix >= 0).all(), "Must be all non-negative."

From aca4b386515d45abf7b3cb27a3999b0408eb63ac Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 6 Nov 2025 04:28:37 +0000
Subject: [PATCH 28/98] Cleaned a bit up where the hypothetical 'integrate'
 function is used, to prep for its import

---
 process/neutronics_data.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index be927c3633..e42214a608 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -227,7 +227,8 @@ def discretize_fission_xs(
         probability of a fission neutron being born into bin j due to a reaction
         caused by a neutron in bin i.
     """
-    fiss_spec = integrate(fission_spectrum_continuous, group_structure)
+    e_max, e_min = group_structure[:-1], group_structure[1:]
+    fiss_spec = integrate(fission_spectrum_continuous, e_max, e_min)
 
     scaled_fission_spectrum = fiss_spec / fiss_spec.sum() * num_neutrons
     return np.outer(

From 4c1373d395f6423bc784a4abf8dff51e4bada951 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 6 Nov 2025 17:42:07 +0000
Subject: [PATCH 29/98] Used numpy testing in appropriate places

---
 tests/unit/test_neutronics_data.py | 34 ++++++++++++++++++------------
 1 file changed, 21 insertions(+), 13 deletions(-)

diff --git a/tests/unit/test_neutronics_data.py b/tests/unit/test_neutronics_data.py
index 866ced4078..86d72ccdaa 100644
--- a/tests/unit/test_neutronics_data.py
+++ b/tests/unit/test_neutronics_data.py
@@ -45,9 +45,11 @@ def test_n2n_matrix_neg1():
     fibo_gs = np.array([8, 5, 3, 2, 1])
     n2n_matrix = n2n_weight_matrix(fibo_gs, -1)
     row_sum = n2n_matrix.sum(axis=1)
-    assert np.isclose(
-        row_sum, [1, 1, 1, np.log(2 / 1.5) / np.log(2 / 1)], rtol=0
-    ).all(), "Expected bin 4 to be partially out-of-bounds"
+    np.testing.assert_allclose(
+        row_sum,
+        [1, 1, 1, np.log(2 / 1.5) / np.log(2 / 1)],
+        err_msg="Expected bin 4 to be partially out-of-bounds",
+    )
     assert (n2n_matrix >= 0).all(), "Must be all non-negative."
 
 
@@ -55,8 +57,8 @@ def test_n2n_matrix_neg2():
     fibo_gs = np.array([8, 5, 3, 2, 1])
     n2n_matrix = n2n_weight_matrix(fibo_gs, -2)
     row_sum = n2n_matrix.sum(axis=1)
-    assert np.isclose(row_sum, [1, 1, 1, 0], rtol=0).all(), (
-        "Expected bin 4 to be out-of-bounds"
+    np.testing.assert_allclose(
+        row_sum, [1, 1, 1, 0], err_msg="Expected bin 4 to be out-of-bounds"
     )
     assert (n2n_matrix >= 0).all(), "Must be all non-negative."
 
@@ -65,9 +67,11 @@ def test_n2n_matrix_neg3():
     fibo_gs = np.array([8, 5, 3, 2, 1])
     n2n_matrix = n2n_weight_matrix(fibo_gs, -3)
     row_sum = n2n_matrix.sum(axis=1)
-    assert np.isclose(
-        row_sum, [1, 1, np.log(3 / 2.5) / np.log(3 / 2), 0], rtol=0
-    ).all(), "Expected bin 3 to be partially out-of-bounds"
+    np.testing.assert_allclose(
+        row_sum,
+        [1, 1, np.log(3 / 2.5) / np.log(3 / 2), 0],
+        err_msg="Expected bin 3 to be partially out-of-bounds",
+    )
     assert (n2n_matrix >= 0).all(), "Must be all non-negative."
 
 
@@ -75,9 +79,11 @@ def test_n2n_matrix_pos3():
     fibo_gs = np.array([8, 5, 3, 2, 1])
     n2n_matrix = n2n_weight_matrix(fibo_gs, 3)
     row_sum = n2n_matrix.sum(axis=1)
-    assert np.isclose(
-        row_sum, [np.log(6.5 / 5) / np.log(8 / 5), 1, 1, 1], rtol=0
-    ).all(), "Expected bin 1 to be partially out-of-bounds"
+    np.testing.assert_allclose(
+        row_sum,
+        [np.log(6.5 / 5) / np.log(8 / 5), 1, 1, 1],
+        err_msg="Expected bin 1 to be partially out-of-bounds",
+    )
     assert (n2n_matrix >= 0).all(), "Must be all non-negative."
 
 
@@ -85,7 +91,9 @@ def test_n2n_matrix_pos6():
     fibo_gs = np.array([8, 5, 3, 2, 1])
     n2n_matrix = n2n_weight_matrix(fibo_gs, 6)
     row_sum = n2n_matrix.sum(axis=1)
-    assert np.isclose(row_sum, [0, 1, 1, 1], rtol=0).all(), (
-        "Expected bin 1 to be completely out-of-bounds"
+    np.testing.assert_allclose(
+        row_sum,
+        [0, 1, 1, 1],
+        err_msg="Expected bin 1 to be completely out-of-bounds",
     )
     assert (n2n_matrix >= 0).all(), "Must be all non-negative."

From 6643fbe17ee4e10e68bc6d9835ad51ddebf86ead Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 6 Nov 2025 17:46:22 +0000
Subject: [PATCH 30/98] Ruff fix: numpy.random

---
 tests/unit/test_neutronics_data.py | 21 ++++++---------------
 1 file changed, 6 insertions(+), 15 deletions(-)

diff --git a/tests/unit/test_neutronics_data.py b/tests/unit/test_neutronics_data.py
index 86d72ccdaa..7f76fe2137 100644
--- a/tests/unit/test_neutronics_data.py
+++ b/tests/unit/test_neutronics_data.py
@@ -4,26 +4,17 @@
 
 from process.neutronics_data import n2n_weight_matrix, scattering_weight_matrix
 
-np.random.seed(1)
+rng = np.random.default_rng(1)
 
 
 @pytest.mark.parametrize(
     "group_structure, atomic_mass",
     [
-        (
-            np.cumsum(100 ** abs(np.random.randn(5)))[::-1],
-            np.random.rand() * 200,
-        ),
-        (
-            np.cumsum(100 ** abs(np.random.randn(10)))[::-1],
-            np.random.rand() * 239,
-        ),
-        (
-            np.cumsum(100 ** abs(np.random.randn(20)))[::-1],
-            np.random.rand() * 150,
-        ),
-        (np.cumsum(100 ** abs(np.random.randn(30)))[::-1], 1),
-        (np.cumsum(100 ** abs(np.random.randn(40)))[::-1], 2),
+        (np.cumsum(100 ** abs(rng.normal(5)))[::-1], rng.random() * 200),
+        (np.cumsum(100 ** abs(rng.normal(10)))[::-1], rng.random() * 239),
+        (np.cumsum(100 ** abs(rng.normal(20)))[::-1], rng.random() * 150),
+        (np.cumsum(100 ** abs(rng.normal(30)))[::-1], 1),
+        (np.cumsum(100 ** abs(rng.normal(40)))[::-1], 2),
     ],
 )
 def test_scattering_matrix(

From fa95610aa17980ef70a6a839687a657b96341f08 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 6 Nov 2025 18:29:31 +0000
Subject: [PATCH 31/98] Docstring improvements

---
 process/neutronics.py      |  5 +++--
 process/neutronics_data.py | 12 +++++++++---
 2 files changed, 12 insertions(+), 5 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 03f2490c8a..b8bac89249 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -311,8 +311,9 @@ def solve_group_n(self, n: int) -> None:
         Parameters
         ----------
         n:
-            The index of the neutron group whose constants are being solved. n <= n_groups - 1.
-            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
+            The index of the neutron group whose constants are being solved.
+            The allowed range of values = [0, self.n_groups-1]. Therefore,
+            n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         """
         if n not in range(self.n_groups):
             raise ValueError(
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index e42214a608..f26ec75119 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -465,14 +465,17 @@ class MaterialMacroInfo:
     avg_atomic_mass: float
 
     def __post_init__(self):
-        """Validation to confirm the shape is correct."""
+        """
+        Validation of group_structure, sigma_s and sigma_t to confirm their
+        shapes are correct.
+        """
         # force into float or numpy arrays of floats.
         self.sigma_t = np.array(self.sigma_t, dtype=float)
         self.sigma_s = np.array(self.sigma_s, dtype=float)
         self.group_structure = np.clip(self.group_structure, 1e-9, np.inf)
         self.avg_atomic_mass = float(self.avg_atomic_mass)
 
-        if np.diff(self.group_structure) > 0:
+        if (np.diff(self.group_structure) > 0).any():
             raise ValueError(
                 "The group structure must be defined beginning from the highest energy "
                 "bin (i.e. lowest lethargy bin) edge, descending to the lowest energy. "
@@ -493,7 +496,10 @@ def __post_init__(self):
 
     @property
     def n_groups(self):
-        """Store this attribute upon first retrieval."""
+        """
+        Number of groups in the group structure.
+        Store this attribute upon first retrieval.
+        """
         if not hasattr(self, "_n_groups"):
             self._n_groups = len(self.group_structure) - 1
         return self._n_groups

From 971e0aa8cc9efb21cb55b35c08807ddede4254e9 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 6 Nov 2025 18:30:15 +0000
Subject: [PATCH 32/98] Added plotting function.

---
 process/neutronics.py         | 53 +++++++++++++++++++++++++++++++++++
 tests/unit/test_neutronics.py | 38 +++++++++++++++++++------
 2 files changed, 83 insertions(+), 8 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index b8bac89249..9c05f18fdb 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -8,6 +8,7 @@
 from collections.abc import Callable
 
 import numpy as np
+from matplotlib import pyplot as plt
 from numpy import typing as npt
 from scipy.special import expm1
 
@@ -172,6 +173,9 @@ def __setitem__(self, i: int, value: float):
         self._attempting_to_access.discard(i)
         self._dict[i] = value
 
+    def values(self):
+        return self._dict.values()
+
 
 class NeutronFluxProfile:
     """Neutron flux in the first wall or the blanket."""
@@ -575,3 +579,52 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
                 - c4 * np.exp(-self.x_bz_cm / l_bz)
             )
         )
+
+    def plot(
+        self,
+        ax: plt.Axes | None = None,
+        n_points: int = 100,
+        symmetric: bool = True,
+        plot_groups: bool = False,
+    ):
+        """
+        Make a rough plot of the neutron flux.
+
+        Parameters
+        ----------
+        ax:
+            A plt.Axes object to plot on.
+        n_points:
+            number of points to be used for plotting.
+        symmetric:
+            Whether to plot from -x to x (symmetric), or from 0 to x (right side only.)
+        plot_groups:
+            Whether to plot each individual group's neutron flux.
+            If True, a legend will be added to help label the groups.
+        """
+        self.solve_group_n(self.n_groups - 1)
+        x_range = _generate_x_range(
+            min(self.extended_boundary.values()) / 100, n_points, symmetric
+        )
+        flux = self.neutron_flux_at(x_range)
+        ax = ax or plt.axes()
+        ax.plot(x_range, flux, label="total")
+
+        if plot_groups:
+            for n in range(self.n_groups):
+                x_range = _generate_x_range(
+                    self.extended_boundary[n], n_points, symmetric
+                )
+                flux = self.groupwise_neutron_flux_at(x_range)
+                ax.plot(x_range, flux, label=f"group {n}")
+        ax.legend()
+        ax.set_title("Neutron flux profile")
+        return ax
+
+
+def _generate_x_range(x_max, n_points, symmetric: bool):
+    """Helper function for finding the range of x-values to be plotted."""
+
+    if symmetric:
+        return np.linspace(-x_max, x_max, n_points * 2 - 1)
+    return np.linspace(0, x_max, n_points)
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 124a957a8c..a3dbaa4e7f 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -43,18 +43,14 @@ def test_has_reactions():
 
 # 2 groups
 # fw_material = MaterialMacroInfo(
-    # [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [1000, 100, 0], 1.0
+# [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [1000, 100, 0], 1.0
 # )
 # bz_material = MaterialMacroInfo(
-    # [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [1000, 100, 0], 2.0
+# [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [1000, 100, 0], 2.0
 # )
 # 1 group
-fw_material = MaterialMacroInfo(
-    [1.0], [[0.5]], [100, 0], 1.0
-)
-bz_material = MaterialMacroInfo(
-    [1.0], [[0.5]], [100, 0], 2.0
-)
+fw_material = MaterialMacroInfo([1.0], [[0.5]], [100, 0], 1.0)
+bz_material = MaterialMacroInfo([1.0], [[0.5]], [100, 0], 2.0)
 profile = NeutronFluxProfile(
     1.0,  # flux
     0.01,  # 1cm
@@ -62,3 +58,29 @@ def test_has_reactions():
     fw_material,
     bz_material,
 )
+
+
+def test_against_desmos_number():
+    dummy = [100, 1]  # dummy group structure
+    # translate from mean-free-path lengths (mfp) to macroscopic cross-sections
+    # [cm]
+    mfp_fw_s = 118 * 0.01
+    mfp_fw_t = 16.65 * 0.01
+    sigma_fw_t = 1 / mfp_fw_t  # [1/cm]
+    sigma_fw_s = 1 / mfp_fw_s  # [1/cm]
+    a_fw = 52
+    fw_material = MaterialMacroInfo([sigma_fw_t], [[sigma_fw_s]], dummy, a_fw)
+
+    mfp_bz_s = 97 * 0.01
+    mfp_bz_t = 35.8 * 0.01
+    sigma_bz_s = 1 / mfp_bz_s  # [1/cm]
+    sigma_bz_t = 1 / mfp_bz_t  # [1/cm]
+    a_bz = 71
+    bz_material = MaterialMacroInfo([sigma_bz_t], [[sigma_bz_s]], dummy, a_bz)
+
+    x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
+    incoming_flux = 41
+    neutron_profile = NeutronFluxProfile(
+        incoming_flux, x_fw, x_bz, fw_material, bz_material
+    )
+    neutron_profile.plot()

From 86e9518b4a8e6029a95e2242e5c914119c92824e Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 6 Nov 2025 19:31:21 +0000
Subject: [PATCH 33/98] further improved the plotting.

---
 process/neutronics.py | 118 +++++++++++++++++++++++++++++++++++++-----
 1 file changed, 104 insertions(+), 14 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 9c05f18fdb..7d3c3f4adc 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -585,7 +585,7 @@ def plot(
         ax: plt.Axes | None = None,
         n_points: int = 100,
         symmetric: bool = True,
-        plot_groups: bool = False,
+        plot_groups: bool = True,
     ):
         """
         Make a rough plot of the neutron flux.
@@ -603,28 +603,118 @@ def plot(
             If True, a legend will be added to help label the groups.
         """
         self.solve_group_n(self.n_groups - 1)
-        x_range = _generate_x_range(
-            min(self.extended_boundary.values()) / 100, n_points, symmetric
-        )
-        flux = self.neutron_flux_at(x_range)
         ax = ax or plt.axes()
-        ax.plot(x_range, flux, label="total")
+
+        x_bz_left, x_fw, x_bz_right = _generate_x_range(
+            min(self.extended_boundary.values()), n_points,
+            symmetric, self.x_fw_cm
+        )
+        ax.plot(
+            x_bz_left, self.neutron_flux_bz(x_bz_left),
+            label="total (BZ)", color="black", ls=(0, (3, 1, 1, 1))
+        )
+        ax.plot(
+            x_fw, self.neutron_flux_fw(x_fw),
+            label="total (FW)", color="black", ls="solid"
+        )
+        ax.plot(
+            x_bz_right, self.neutron_flux_bz(x_bz_right),
+            color="black", ls=(0, (3, 1, 1, 1))
+        )
 
         if plot_groups:
             for n in range(self.n_groups):
-                x_range = _generate_x_range(
-                    self.extended_boundary[n], n_points, symmetric
+                x_bz_left, x_fw, x_bz_right = _generate_x_range(
+                    self.extended_boundary[n], n_points,
+                    symmetric, self.x_fw_cm
+                )
+                ax.plot(
+                    x_bz_left, self.neutron_flux_bz(x_bz_left),
+                    label=f"group {n+1} (BZ)", color=f"C{n}", ls=(0, (3, 1, 1, 1))
+                )
+                ax.plot(
+                    x_fw, self.neutron_flux_fw(x_fw),
+                    label=f"group {n+1} (FW)", color=f"C{n}", ls="solid"
+                )
+                ax.plot(
+                    x_bz_right, self.neutron_flux_bz(x_bz_right),
+                    color=f"C{n}", ls=(0, (3, 1, 1, 1))
                 )
-                flux = self.groupwise_neutron_flux_at(x_range)
-                ax.plot(x_range, flux, label=f"group {n}")
         ax.legend()
         ax.set_title("Neutron flux profile")
         return ax
 
 
-def _generate_x_range(x_max, n_points, symmetric: bool):
-    """Helper function for finding the range of x-values to be plotted."""
+def _generate_x_range(
+    x_max_cm: float,
+    approx_n_points: int,
+    symmetric: bool,
+    fw_bz_split_point_cm: float|None=None
+):
+    """Helper function for finding the range of x-values to be plotted.
+
+    Parameters
+    ----------
+    x_max_cm:
+        absolute value of the maximum x that we want to plot.
+        This is typically obtained by min(extended_boundary), or
+        extended_boundary[n] [cm]
+    symmetric:
+        Whether we want to plot the negative side of the x-axis as well, forming
+        a symmetric plot.
+    approx_n_points:
+        number of points to be plotted.
+    fw_bz_split_point_cm:
+        FW and BZ region splits at this distance. If provided, we generate separate
+        x ranges for the FW and BZ. [cm]
+
+    Returns
+    -------
+    if (fw_bz_split_point_cm, symmetric) = (float value, True):
+        x_range_bz_left:
+            The array of x-values to be used for plotting the left (negative)
+            side of bz. [m]
+        x_range_fw:
+            The array of x-values to be used for plotting both the left and
+            right sides of fw. [m]
+        x_range_bz_right:
+            The array of x-values to be used for plotting the right (positive) 
+            side of bz. [m]
+    elif (fw_bz_split_point_cm, symmetric) = (float value, False):
+        x_range_fw:
+            The array of x-values to be used for plotting the right (positive)
+            side of fw [m]
+        x_range_bz:
+            The array of x-values to be used for plotting the right (positive)
+            side of bz [m]
+    elif (fw_bz_split_point_cm, symmetric) = (None, True):
+        x_range:
+            The array of x-values to be used for plotting both sides of the
+            neutron flux. [m]
+    else (fw_bz_split_point_cm, symmetric) = (None, False):
+        x_range:
+            The array of x-values to be used for plotting the right (positive)
+            side neutron flux. [m]
+    """
+
+    x_max = x_max_cm/100
+    if fw_bz_split_point_cm is not None:
+        x_range = np.linspace(0, x_max_cm, approx_n_points)
+        n_points_fw = (x_range<fw_bz_split_point_cm).sum() + 1
+        n_points_bz = (x_range>=fw_bz_split_point_cm).sum() + 1
+
+        split_point = fw_bz_split_point_cm/100
+        if symmetric:
+            return (
+                np.linspace(-x_max, -split_point, n_points_bz),
+                np.linspace(-split_point, split_point, n_points_fw * 2 - 1),
+                np.linspace(split_point, x_max, n_points_bz),
+            )
+        return (
+            np.linspace(0, split_point, n_points_fw),
+            np.linspace(split_point, x_max, n_points_bz),
+        )
 
     if symmetric:
-        return np.linspace(-x_max, x_max, n_points * 2 - 1)
-    return np.linspace(0, x_max, n_points)
+        return np.linspace(-x_max, x_max, approx_n_points * 2 - 1)
+    return np.linspace(0, x_max, approx_n_points)

From 44ca361899d45e0a6b14a5c6a8f0ee50a9a4c5c2 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 6 Nov 2025 19:37:36 +0000
Subject: [PATCH 34/98] Formatting fix

---
 process/neutronics.py         | 64 +++++++++++++++++++++++------------
 tests/unit/test_neutronics.py | 19 -----------
 2 files changed, 42 insertions(+), 41 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 7d3c3f4adc..4b87c8e810 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -606,39 +606,59 @@ def plot(
         ax = ax or plt.axes()
 
         x_bz_left, x_fw, x_bz_right = _generate_x_range(
-            min(self.extended_boundary.values()), n_points,
-            symmetric, self.x_fw_cm
+            min(self.extended_boundary.values()),
+            n_points,
+            symmetric,
+            self.x_fw_cm,
         )
         ax.plot(
-            x_bz_left, self.neutron_flux_bz(x_bz_left),
-            label="total (BZ)", color="black", ls=(0, (3, 1, 1, 1))
+            x_bz_left,
+            self.neutron_flux_bz(x_bz_left),
+            label="total (BZ)",
+            color="black",
+            ls=(0, (3, 1, 1, 1)),
         )
         ax.plot(
-            x_fw, self.neutron_flux_fw(x_fw),
-            label="total (FW)", color="black", ls="solid"
+            x_fw,
+            self.neutron_flux_fw(x_fw),
+            label="total (FW)",
+            color="black",
+            ls="solid",
         )
         ax.plot(
-            x_bz_right, self.neutron_flux_bz(x_bz_right),
-            color="black", ls=(0, (3, 1, 1, 1))
+            x_bz_right,
+            self.neutron_flux_bz(x_bz_right),
+            color="black",
+            ls=(0, (3, 1, 1, 1)),
         )
 
         if plot_groups:
             for n in range(self.n_groups):
                 x_bz_left, x_fw, x_bz_right = _generate_x_range(
-                    self.extended_boundary[n], n_points,
-                    symmetric, self.x_fw_cm
+                    self.extended_boundary[n],
+                    n_points,
+                    symmetric,
+                    self.x_fw_cm,
                 )
                 ax.plot(
-                    x_bz_left, self.neutron_flux_bz(x_bz_left),
-                    label=f"group {n+1} (BZ)", color=f"C{n}", ls=(0, (3, 1, 1, 1))
+                    x_bz_left,
+                    self.neutron_flux_bz(x_bz_left),
+                    label=f"group {n + 1} (BZ)",
+                    color=f"C{n}",
+                    ls=(0, (3, 1, 1, 1)),
                 )
                 ax.plot(
-                    x_fw, self.neutron_flux_fw(x_fw),
-                    label=f"group {n+1} (FW)", color=f"C{n}", ls="solid"
+                    x_fw,
+                    self.neutron_flux_fw(x_fw),
+                    label=f"group {n + 1} (FW)",
+                    color=f"C{n}",
+                    ls="solid",
                 )
                 ax.plot(
-                    x_bz_right, self.neutron_flux_bz(x_bz_right),
-                    color=f"C{n}", ls=(0, (3, 1, 1, 1))
+                    x_bz_right,
+                    self.neutron_flux_bz(x_bz_right),
+                    color=f"C{n}",
+                    ls=(0, (3, 1, 1, 1)),
                 )
         ax.legend()
         ax.set_title("Neutron flux profile")
@@ -649,7 +669,7 @@ def _generate_x_range(
     x_max_cm: float,
     approx_n_points: int,
     symmetric: bool,
-    fw_bz_split_point_cm: float|None=None
+    fw_bz_split_point_cm: float | None = None,
 ):
     """Helper function for finding the range of x-values to be plotted.
 
@@ -678,7 +698,7 @@ def _generate_x_range(
             The array of x-values to be used for plotting both the left and
             right sides of fw. [m]
         x_range_bz_right:
-            The array of x-values to be used for plotting the right (positive) 
+            The array of x-values to be used for plotting the right (positive)
             side of bz. [m]
     elif (fw_bz_split_point_cm, symmetric) = (float value, False):
         x_range_fw:
@@ -697,13 +717,13 @@ def _generate_x_range(
             side neutron flux. [m]
     """
 
-    x_max = x_max_cm/100
+    x_max = x_max_cm / 100
     if fw_bz_split_point_cm is not None:
         x_range = np.linspace(0, x_max_cm, approx_n_points)
-        n_points_fw = (x_range<fw_bz_split_point_cm).sum() + 1
-        n_points_bz = (x_range>=fw_bz_split_point_cm).sum() + 1
+        n_points_fw = (x_range < fw_bz_split_point_cm).sum() + 1
+        n_points_bz = (x_range >= fw_bz_split_point_cm).sum() + 1
 
-        split_point = fw_bz_split_point_cm/100
+        split_point = fw_bz_split_point_cm / 100
         if symmetric:
             return (
                 np.linspace(-x_max, -split_point, n_points_bz),
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index a3dbaa4e7f..09c4238353 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -41,25 +41,6 @@ def test_has_reactions():
     assert hasattr(NeutronFluxProfile, "reaction_rate_bz")
 
 
-# 2 groups
-# fw_material = MaterialMacroInfo(
-# [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [1000, 100, 0], 1.0
-# )
-# bz_material = MaterialMacroInfo(
-# [1.0, 0.5], [[0.5, 0.1], [0, 0.1]], [1000, 100, 0], 2.0
-# )
-# 1 group
-fw_material = MaterialMacroInfo([1.0], [[0.5]], [100, 0], 1.0)
-bz_material = MaterialMacroInfo([1.0], [[0.5]], [100, 0], 2.0)
-profile = NeutronFluxProfile(
-    1.0,  # flux
-    0.01,  # 1cm
-    0.11,  # 10cm thick blanket
-    fw_material,
-    bz_material,
-)
-
-
 def test_against_desmos_number():
     dummy = [100, 1]  # dummy group structure
     # translate from mean-free-path lengths (mfp) to macroscopic cross-sections

From e50e851eafd764c965ce4dadbf13dbd6dd88fa3b Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 6 Nov 2025 19:49:54 +0000
Subject: [PATCH 35/98] extended_boundary renamed to extended_boundary_cm

---
 process/neutronics.py | 40 ++++++++++++++++++++--------------------
 1 file changed, 20 insertions(+), 20 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 4b87c8e810..ff146f1d99 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -242,14 +242,14 @@ def __init__(
         # diffusion lengths squared
         self.l_fw_2 = AutoPopulatingDict(self.solve_group_n, "l_fw_2")
         self.l_bz_2 = AutoPopulatingDict(self.solve_group_n, "l_bz_2")
-        self.extended_boundary = AutoPopulatingDict(
-            self.solve_group_n, "extended_boundary"
+        self.extended_boundary_cm = AutoPopulatingDict(
+            self.solve_group_n, "extended_boundary_cm"
         )
 
     def solve_lowest_group(self) -> None:
         """
         Solve the highest-energy (lowest-lethargy)-group's neutron diffusion equation.
-        Store the solved constants in self.extended_boundary[0], self.l_fw_2[0],
+        Store the solved constants in self.extended_boundary_cm[0], self.l_fw_2[0],
         self.l_bz_2[0], and self.integration_constants[0].
         """
         n = 0
@@ -268,7 +268,7 @@ def solve_lowest_group(self) -> None:
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
         l_bz = np.sqrt(abs(self.l_bz_2[n]))
         x_fw, x_bz = self.x_fw_cm, self.x_bz_cm
-        self.extended_boundary[n] = x_bz + extrapolation_length(d_bz)
+        self.extended_boundary_cm[n] = x_bz + extrapolation_length(d_bz)
         if self.l_fw_2[n] > 0:
             sinh_fw = np.sinh(x_fw / l_fw)
             cosh_fw = np.cosh(x_fw / l_fw)
@@ -278,13 +278,13 @@ def solve_lowest_group(self) -> None:
             cosh_fw = np.cos(x_fw / l_fw)
             tanh_fw = np.tan(x_fw / l_fw)
         if self.l_bz_2[n] > 0:
-            sinh_bz = np.sinh((self.extended_boundary[n] - x_fw) / l_bz)
-            cosh_bz = np.cosh((self.extended_boundary[n] - x_fw) / l_bz)
-            tanh_bz = np.tanh((self.extended_boundary[n] - x_fw) / l_bz)
+            sinh_bz = np.sinh((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            cosh_bz = np.cosh((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            tanh_bz = np.tanh((self.extended_boundary_cm[n] - x_fw) / l_bz)
         else:
-            sinh_bz = np.sin((self.extended_boundary[n] - x_fw) / l_bz)
-            cosh_bz = np.cos((self.extended_boundary[n] - x_fw) / l_bz)
-            tanh_bz = np.tan((self.extended_boundary[n] - x_fw) / l_bz)
+            sinh_bz = np.sin((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            cosh_bz = np.cos((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            tanh_bz = np.tan((self.extended_boundary_cm[n] - x_fw) / l_bz)
 
         c2 = (
             self.flux
@@ -302,14 +302,14 @@ def solve_lowest_group(self) -> None:
             * (1 - tanh_fw)
             / ((d_bz / l_bz) * cosh_bz + (d_fw / l_fw) * tanh_fw * sinh_bz)
         )
-        c3 = c3_c4_common_factor * np.exp(self.extended_boundary[n] / l_bz)
-        c4 = -c3_c4_common_factor * np.exp(-self.extended_boundary[n] / l_bz)
+        c3 = c3_c4_common_factor * np.exp(self.extended_boundary_cm[n] / l_bz)
+        c4 = -c3_c4_common_factor * np.exp(-self.extended_boundary_cm[n] / l_bz)
         self.integration_constants[n] = [c1, c2, c3, c4]
 
     def solve_group_n(self, n: int) -> None:
         """
         Solve the n-th group of neutron's diffusion equation, where n<=n_groups-1.
-        Store the solved constants in self.extended_boundary[n-1], self.l_fw_2[n-1],
+        Store the solved constants in self.extended_boundary_cm[n-1], self.l_fw_2[n-1],
         self.l_bz_2[n-1], and self.integration_constants[n-1].
 
         Parameters
@@ -346,7 +346,7 @@ def solve_group_n(self, n: int) -> None:
         c2 = ...
         c3 = ...
         c4 = ...
-        self.extended_boundary[n] = self.x_bz_cm + extrapolation_length(d_bz)
+        self.extended_boundary_cm[n] = self.x_bz_cm + extrapolation_length(d_bz)
         self.integration_constants[n] = [c1, c2, c3, c4]
         return None
 
@@ -434,12 +434,12 @@ def groupwise_neutron_flux_at(
         in_fw = abs(x * 100) <= self.x_fw_cm
         in_bz = np.logical_and(
             self.x_fw_cm < abs(x * 100),
-            abs(x * 100) <= self.extended_boundary[n],
+            abs(x * 100) <= self.extended_boundary_cm[n],
         )
         if (~np.logical_or(in_fw, in_bz)).any():
             raise ValueError(
                 f"for neutron group {n}, neutron flux can only be calculated "
-                f"up to {self.extended_boundary[n]} cm, which {x * 100} cm violates!"
+                f"up to {self.extended_boundary_cm[n]} cm, which {x * 100} cm violates!"
             )
 
         out_flux = np.zeros_like(x)
@@ -606,7 +606,7 @@ def plot(
         ax = ax or plt.axes()
 
         x_bz_left, x_fw, x_bz_right = _generate_x_range(
-            min(self.extended_boundary.values()),
+            min(self.extended_boundary_cm.values()),
             n_points,
             symmetric,
             self.x_fw_cm,
@@ -635,7 +635,7 @@ def plot(
         if plot_groups:
             for n in range(self.n_groups):
                 x_bz_left, x_fw, x_bz_right = _generate_x_range(
-                    self.extended_boundary[n],
+                    self.extended_boundary_cm[n],
                     n_points,
                     symmetric,
                     self.x_fw_cm,
@@ -677,8 +677,8 @@ def _generate_x_range(
     ----------
     x_max_cm:
         absolute value of the maximum x that we want to plot.
-        This is typically obtained by min(extended_boundary), or
-        extended_boundary[n] [cm]
+        This is typically obtained by min(extended_boundary_cm), or
+        extended_boundary_cm[n] [cm]
     symmetric:
         Whether we want to plot the negative side of the x-axis as well, forming
         a symmetric plot.

From f304ca038387e00db914d620be9188fd98ab5cd7 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 7 Nov 2025 11:06:18 +0000
Subject: [PATCH 36/98] Added regression test, and fixed all the little details
 to make the regression test work.

---
 process/neutronics.py               | 82 ++++++++++++++++++-----------
 process/neutronics_data.py          |  2 +
 tests/regression/test_neutronics.py | 45 ++++++++++++++++
 tests/unit/test_neutronics.py       | 26 ---------
 4 files changed, 99 insertions(+), 56 deletions(-)
 create mode 100644 tests/regression/test_neutronics.py

diff --git a/process/neutronics.py b/process/neutronics.py
index ff146f1d99..cd857e37e3 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -65,7 +65,7 @@ def __set_name__(self, owner, name):
 
 
 def get_diffusion_coefficient_and_length(
-    total_xs: float, scattering_xs: float, avg_atomic_mass: float
+    total_xs_cm: float, scattering_xs_cm: float, avg_atomic_mass: float
 ) -> tuple[float, float]:
     r"""
     Calculate the diffusion coefficient for a given scattering and total macro-scopic
@@ -73,12 +73,12 @@ def get_diffusion_coefficient_and_length(
 
     Parameters
     ----------
-    total_xs:
+    total_xs_cm:
         macroscopic total cross-section `\sigma_{total}`, i.e. any reaction between
         nuclei and neutrons, that either changes the neutron's path or remove it from
         that energy group.
         Unit: cm^-1
-    scattering_xs:
+    scattering_xs_cm:
         macroscopic total cross-section `\sigma_{scatter}`, i.e. number of reactions per
         unit distance travelled by the neutron that leads to it being scattered (without
         getting absorbed).
@@ -101,10 +101,10 @@ def get_diffusion_coefficient_and_length(
         unit: [cm]
     """
 
-    transport_xs = total_xs - 2 / (3 * avg_atomic_mass) * scattering_xs
+    transport_xs = total_xs_cm - 2 / (3 * avg_atomic_mass) * scattering_xs_cm
     diffusion_coef = 1 / 3 / transport_xs
-    diffusion_len_2 = diffusion_coef / (total_xs - scattering_xs)
-    return diffusion_coef, diffusion_len_2
+    diffusion_len_2 = diffusion_coef / (total_xs_cm - scattering_xs_cm)
+    return diffusion_len_2, diffusion_coef
 
 
 def extrapolation_length(diffusion_coefficient: float) -> float:
@@ -176,6 +176,8 @@ def __setitem__(self, i: int, value: float):
     def values(self):
         return self._dict.values()
 
+    def __repr__(self):
+        return f"AutoPopulatingDict{self._dict}"
 
 class NeutronFluxProfile:
     """Neutron flux in the first wall or the blanket."""
@@ -210,10 +212,28 @@ def __init__(
             thickness of the first wall, converted from [m] into [cm].
         x_bz_cm:
             thickness of the blanket + first-wall, converted from [m] into [cm].
+        fw_mat:
+            first wall material information
+        bz_mat:
+            blanket material information
         n_groups:
             number of groups in the group structure
         group_structure:
             energy bin edges, 1D array of len = n_groups+1
+
+        integration_constants:
+            Integration constants that determine the flux shape (and therefore
+            reaction rates and neutron current) of each group. A set of four
+            constants, two for fw and two for bz; each with unit: [cm^-2 s^-1]
+        l_fw_2:
+            square of the characteristic diffusion length as given by Reactor Analysis,
+            Duderstadt and Hamilton, applied to the fw.
+        l_bz_2:
+            square of the characteristic diffusion length as given by Reactor Analysis,
+            Duderstadt and Hamilton, applied to the bz.
+        extended_boundary_cm:
+            extended boundary (outside the bz) for each group, stored in cm.
+            This value should be larger than x_bz for each of them.
         """
         self.flux = flux  # flux incident on the first wall.
         if not (0 < x_fw < x_bz):
@@ -251,18 +271,19 @@ def solve_lowest_group(self) -> None:
         Solve the highest-energy (lowest-lethargy)-group's neutron diffusion equation.
         Store the solved constants in self.extended_boundary_cm[0], self.l_fw_2[0],
         self.l_bz_2[0], and self.integration_constants[0].
+        integration_constants have units of [cm^-2 s^-1].
         """
         n = 0
         if n in self.integration_constants:
             return  # skip if it has already been solved.
         self.l_fw_2[n], d_fw = get_diffusion_coefficient_and_length(
-            self.fw_mat.sigma_t[n],
-            self.fw_mat.sigma_s[n, n],
+            self.fw_mat.sigma_t_cm[n],
+            self.fw_mat.sigma_s_cm[n, n],
             self.fw_mat.avg_atomic_mass,
         )
         self.l_bz_2[n], d_bz = get_diffusion_coefficient_and_length(
-            self.bz_mat.sigma_t[n],
-            self.bz_mat.sigma_s[n, n],
+            self.bz_mat.sigma_t_cm[n],
+            self.bz_mat.sigma_s_cm[n, n],
             self.bz_mat.avg_atomic_mass,
         )
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
@@ -302,8 +323,8 @@ def solve_lowest_group(self) -> None:
             * (1 - tanh_fw)
             / ((d_bz / l_bz) * cosh_bz + (d_fw / l_fw) * tanh_fw * sinh_bz)
         )
-        c3 = c3_c4_common_factor * np.exp(self.extended_boundary_cm[n] / l_bz)
-        c4 = -c3_c4_common_factor * np.exp(-self.extended_boundary_cm[n] / l_bz)
+        c3 = -c3_c4_common_factor * np.exp(-self.extended_boundary_cm[n] / l_bz)
+        c4 = c3_c4_common_factor * np.exp(self.extended_boundary_cm[n] / l_bz)
         self.integration_constants[n] = [c1, c2, c3, c4]
 
     def solve_group_n(self, n: int) -> None:
@@ -331,13 +352,13 @@ def solve_group_n(self, n: int) -> None:
         if n in self.integration_constants:
             return None  # skip if it has already been solved.
         self.l_fw_2[n], d_fw = get_diffusion_coefficient_and_length(
-            self.fw_mat.sigma_t[n],
-            self.fw_mat.sigma_s[n, n],
+            self.fw_mat.sigma_t_cm[n],
+            self.fw_mat.sigma_s_cm[n, n],
             self.fw_mat.avg_atomic_mass,
         )
         self.l_bz_2[n], d_bz = get_diffusion_coefficient_and_length(
-            self.bz_mat.sigma_t[n],
-            self.bz_mat.sigma_s[n, n],
+            self.bz_mat.sigma_t_cm[n],
+            self.bz_mat.sigma_s_cm[n, n],
             self.bz_mat.avg_atomic_mass,
         )
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
@@ -354,7 +375,8 @@ def solve_group_n(self, n: int) -> None:
     def groupwise_neutron_flux_fw(
         self, n: int, x: float | npt.NDArray
     ) -> npt.NDArray:
-        """Neutron flux of the n-th group at the first wall, at location x [m].
+        """
+        Neutron flux[cm^-2 s^-1] of the n-th group at the first wall, at location x [m].
 
         Parameters
         ----------
@@ -382,7 +404,7 @@ def groupwise_neutron_flux_fw(
     def groupwise_neutron_flux_bz(
         self, n: int, x: float | npt.NDArray
     ) -> npt.NDArray:
-        """Neutron flux of the n-th groupat the blanket, at location x [m].
+        """Neutron flux[cm^-2 s^-1] of the n-th groupat the blanket, at location x [m].
 
         Parameters
         ----------
@@ -411,7 +433,7 @@ def groupwise_neutron_flux_at(
         self, n: int, x: float | npt.NDArray
     ) -> npt.NDArray:
         """
-        Neutron flux anywhere within the valid range of x,
+        Neutron flux [cm^-2 s^-1] anywhere within the valid range of x,
         i.e. from -self.x_bz_cm to self.x_bz_cm.
 
         Parameters
@@ -450,7 +472,7 @@ def groupwise_neutron_flux_at(
     # scalar values (one such float per neutron group.)
     @summarize_values
     def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
-        """Calculate the reaction rate in the first wall.
+        """Calculate the reaction rate [s^-1] in the first wall.
 
         Parameters
         ----------
@@ -468,10 +490,10 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
                 "higher energy groups' fluxes yet."
             )
         c1, c2, c3, c4 = self.integration_constants[n]
-        if reaction_type == "exclude elastic-scattering":
-            sigma = self.fw_mat.sigma_t[n] - self.fw_mat.sigma_s[n, n]
+        if reaction_type == "heating":
+            sigma = self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n, n]
         elif reaction_type == "total":
-            sigma = self.fw_mat.sigma_t[n]
+            sigma = self.fw_mat.sigma_t_cm[n]
         else:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
@@ -500,10 +522,10 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
                 "higher energy groups' fluxes yet."
             )
         c1, c2, c3, c4 = self.integration_constants[n]
-        if reaction_type == "exclude elastic-scattering":
-            sigma = self.bz_mat.sigma_t[n] - self.bz_mat.sigma_s[n, n]
+        if reaction_type == "heating":
+            sigma = self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n, n]
         elif reaction_type == "total":
-            sigma = self.bz_mat.sigma_t[n]
+            sigma = self.bz_mat.sigma_t_cm[n]
         else:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
@@ -533,8 +555,8 @@ def groupwise_neutron_current_fw2bz(self, n: int) -> float:
         """
         c1, c2, c3, c4 = self.integration_constants[n]
         l_bz_2, d_bz = get_diffusion_coefficient_and_length(
-            self.bz_mat.sigma_t[n],
-            self.bz_mat.sigma_s[n, n],
+            self.bz_mat.sigma_t_cm[n],
+            self.bz_mat.sigma_s_cm[n, n],
             self.bz_mat.avg_atomic_mass,
         )
         l_bz = np.sqrt(abs(l_bz_2))
@@ -566,8 +588,8 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
         """
         c1, c2, c3, c4 = self.integration_constants[n]
         l_bz_2, d_bz = get_diffusion_coefficient_and_length(
-            self.bz_mat.sigma_t[n],
-            self.bz_mat.sigma_s[n, n],
+            self.bz_mat.sigma_t_cm[n],
+            self.bz_mat.sigma_s_cm[n, n],
             self.bz_mat.avg_atomic_mass,
         )
         l_bz = np.sqrt(abs(l_bz_2))
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index f26ec75119..3a99cd1d18 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -493,6 +493,8 @@ def __post_init__(self):
                 "Group-wise scattering cross-sections be a square matrix of "
                 f"shape n*n, where n= number of groups = {self.n_groups}."
             )
+        self.sigma_t_cm = self.sigma_t/100
+        self.sigma_s_cm = self.sigma_s/100
 
     @property
     def n_groups(self):
diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
new file mode 100644
index 0000000000..12ab1d5bcc
--- /dev/null
+++ b/tests/regression/test_neutronics.py
@@ -0,0 +1,45 @@
+import pytest
+
+from process.neutronics import NeutronFluxProfile
+from process.neutronics_data import MaterialMacroInfo
+
+def test_against_desmos_number():
+    """
+    Regression test against Desmos snapshot:
+    https://www.desmos.com/calculator/18xojespuo
+    """
+    dummy = [100, 1]  # dummy group structure
+    # translate from mean-free-path lengths (mfp) to macroscopic cross-sections
+    # [m]
+    mfp_fw_s = 118 * 0.01
+    mfp_fw_t = 16.65 * 0.01
+    sigma_fw_t = 1 / mfp_fw_t  # [1/m]
+    sigma_fw_s = 1 / mfp_fw_s  # [1/m]
+    a_fw = 52
+    fw_material = MaterialMacroInfo([sigma_fw_t], [[sigma_fw_s]], dummy, a_fw)
+
+    mfp_bz_s = 97 * 0.01
+    mfp_bz_t = 35.8 * 0.01
+    sigma_bz_s = 1 / mfp_bz_s  # [1/m]
+    sigma_bz_t = 1 / mfp_bz_t  # [1/m]
+    a_bz = 71
+    bz_material = MaterialMacroInfo([sigma_bz_t], [[sigma_bz_s]], dummy, a_bz)
+
+    x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
+    incoming_flux = 41
+    neutron_profile = NeutronFluxProfile(
+        incoming_flux, x_fw, x_bz, fw_material, bz_material
+    )
+    
+    c1, c2, c3, c4 = neutron_profile.integration_constants
+    assert np.isclose(c1, 78.5454445887), "Integration constant c1."
+    assert np.isclose(c2, 1.98923249017), "Integration constant c2."
+    assert np.isclose(c3, -0.0126020377605), "Integration constant c3."
+    assert np.isclose(c4, 60.6997676395), "Integration constant c4."
+
+    assert np.isclose(neutron_profile.neutron_flux_fw(x_fw), 48.72444)
+    assert np.isclose(neutron_profile.neutron_flux_bz(x_fw), 48.72444)
+    assert np.isclose(neutron_profile.neutron_flux_at(x_fw), 48.72444)
+
+    assert np.isclose(neutron_profile.neutron_current_fw2bz(), 22.3980214162)
+    assert np.isclose(neutron_profile.neutron_current_escaped(), 1.22047369356)
\ No newline at end of file
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 09c4238353..1825e8852e 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -39,29 +39,3 @@ def test_has_reactions():
     assert hasattr(NeutronFluxProfile, "reaction_rate_fw")
     assert hasattr(NeutronFluxProfile, "groupwise_reaction_rate_bz")
     assert hasattr(NeutronFluxProfile, "reaction_rate_bz")
-
-
-def test_against_desmos_number():
-    dummy = [100, 1]  # dummy group structure
-    # translate from mean-free-path lengths (mfp) to macroscopic cross-sections
-    # [cm]
-    mfp_fw_s = 118 * 0.01
-    mfp_fw_t = 16.65 * 0.01
-    sigma_fw_t = 1 / mfp_fw_t  # [1/cm]
-    sigma_fw_s = 1 / mfp_fw_s  # [1/cm]
-    a_fw = 52
-    fw_material = MaterialMacroInfo([sigma_fw_t], [[sigma_fw_s]], dummy, a_fw)
-
-    mfp_bz_s = 97 * 0.01
-    mfp_bz_t = 35.8 * 0.01
-    sigma_bz_s = 1 / mfp_bz_s  # [1/cm]
-    sigma_bz_t = 1 / mfp_bz_t  # [1/cm]
-    a_bz = 71
-    bz_material = MaterialMacroInfo([sigma_bz_t], [[sigma_bz_s]], dummy, a_bz)
-
-    x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
-    incoming_flux = 41
-    neutron_profile = NeutronFluxProfile(
-        incoming_flux, x_fw, x_bz, fw_material, bz_material
-    )
-    neutron_profile.plot()

From abc1f1d2159d1d222e2e9e97853c76b226bdccba Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 7 Nov 2025 11:14:37 +0000
Subject: [PATCH 37/98] regression test fix.

---
 tests/regression/test_neutronics.py | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 12ab1d5bcc..7fd83dfd91 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -1,4 +1,5 @@
 import pytest
+import numpy as np
 
 from process.neutronics import NeutronFluxProfile
 from process.neutronics_data import MaterialMacroInfo
@@ -31,9 +32,9 @@ def test_against_desmos_number():
         incoming_flux, x_fw, x_bz, fw_material, bz_material
     )
     
-    c1, c2, c3, c4 = neutron_profile.integration_constants
-    assert np.isclose(c1, 78.5454445887), "Integration constant c1."
-    assert np.isclose(c2, 1.98923249017), "Integration constant c2."
+    c1, c2, c3, c4 = neutron_profile.integration_constants[0]
+    assert np.isclose(c1, 1.98923249017), "Integration constant c1."
+    assert np.isclose(c2, 78.5454445887), "Integration constant c2."
     assert np.isclose(c3, -0.0126020377605), "Integration constant c3."
     assert np.isclose(c4, 60.6997676395), "Integration constant c4."
 

From 85553a6112121ea8286e3bb9b8e683ad8838ff04 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 7 Nov 2025 13:18:18 +0000
Subject: [PATCH 38/98] Regression test added - conservation in total number of
 neutrons (they've either achieved 'removal' by reaction or escaped as neutron
 current.

---
 process/neutronics.py               | 26 ++++++++++++++------------
 tests/regression/test_neutronics.py |  8 +++++++-
 2 files changed, 21 insertions(+), 13 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index cd857e37e3..0eba1e27a5 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -480,7 +480,7 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
             Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         reaction_type:
-            Two options: "total" or "exclude elastic-scattering".
+            string of either {"total","removal"}.
 
         """
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
@@ -490,15 +490,15 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
                 "higher energy groups' fluxes yet."
             )
         c1, c2, c3, c4 = self.integration_constants[n]
-        if reaction_type == "heating":
-            sigma = self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n, n]
+        if reaction_type == "removal":
+            sigma = self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n].sum()
         elif reaction_type == "total":
             sigma = self.fw_mat.sigma_t_cm[n]
         else:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
             )
-        return sigma * (
+        return sigma * l_fw * (
             c1 * expm1(self.x_fw_cm / l_fw) - c2 * expm1(-self.x_fw_cm / l_fw)
         )
 
@@ -512,7 +512,7 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
             Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         reaction_type:
-            Two options: "total" or "exclude elastic-scattering".
+            string of either {"total","removal"}.
 
         """
         l_bz = np.sqrt(abs(self.l_bz_2[n]))
@@ -522,8 +522,8 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
                 "higher energy groups' fluxes yet."
             )
         c1, c2, c3, c4 = self.integration_constants[n]
-        if reaction_type == "heating":
-            sigma = self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n, n]
+        if reaction_type == "removal":
+            sigma = self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n].sum()
         elif reaction_type == "total":
             sigma = self.bz_mat.sigma_t_cm[n]
         else:
@@ -533,9 +533,9 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
         # thicknesses in terms of bz path lengths
         bz_thick = (self.x_bz_cm - self.x_fw_cm) / l_bz
         fw_thick = self.x_fw_cm / l_bz
-        return sigma * (
-            c3 * np.exp(fw_thick) * expm1(bz_thick)
-            - c4 * np.exp(-fw_thick) * expm1(-bz_thick)
+        return sigma * l_bz * (
+            c3 * expm1(bz_thick) * np.exp(fw_thick)
+            - c4 * expm1(-bz_thick) * np.exp(-fw_thick)
         )
 
     @summarize_values
@@ -636,7 +636,6 @@ def plot(
         ax.plot(
             x_bz_left,
             self.neutron_flux_bz(x_bz_left),
-            label="total (BZ)",
             color="black",
             ls=(0, (3, 1, 1, 1)),
         )
@@ -651,6 +650,7 @@ def plot(
             x_bz_right,
             self.neutron_flux_bz(x_bz_right),
             color="black",
+            label="total (BZ)",
             ls=(0, (3, 1, 1, 1)),
         )
 
@@ -665,7 +665,6 @@ def plot(
                 ax.plot(
                     x_bz_left,
                     self.neutron_flux_bz(x_bz_left),
-                    label=f"group {n + 1} (BZ)",
                     color=f"C{n}",
                     ls=(0, (3, 1, 1, 1)),
                 )
@@ -679,11 +678,14 @@ def plot(
                 ax.plot(
                     x_bz_right,
                     self.neutron_flux_bz(x_bz_right),
+                    label=f"group {n + 1} (BZ)",
                     color=f"C{n}",
                     ls=(0, (3, 1, 1, 1)),
                 )
         ax.legend()
         ax.set_title("Neutron flux profile")
+        ax.set_xlabel("Distance from the plasma-fw interface [m]")
+        ax.set_ylabel("Neutron flux [cm^-2 s^-1]")
         return ax
 
 
diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 7fd83dfd91..8e69b3ba6c 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -43,4 +43,10 @@ def test_against_desmos_number():
     assert np.isclose(neutron_profile.neutron_flux_at(x_fw), 48.72444)
 
     assert np.isclose(neutron_profile.neutron_current_fw2bz(), 22.3980214162)
-    assert np.isclose(neutron_profile.neutron_current_escaped(), 1.22047369356)
\ No newline at end of file
+    assert np.isclose(neutron_profile.neutron_current_escaped(), 1.22047369356)
+
+    assert np.isclose(neutron_profile.flux,
+        neutron_profile.neutron_current_escaped()
+        + neutron_profile.reaction_rate_fw("removal")
+        + neutron_profile.reaction_rate_bz("removal")
+    )
\ No newline at end of file

From 9d06fbc2d014ad0f892ae1beea6fb106dfd18ba5 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 9 Nov 2025 00:25:48 +0000
Subject: [PATCH 39/98] Added an IntegrationConstants class, which contains a
 validation method to make sure it's the right length.

---
 process/neutronics.py | 36 ++++++++++++++++++++++++++++++++++--
 1 file changed, 34 insertions(+), 2 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 0eba1e27a5..fbb64815c1 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -5,6 +5,8 @@
 
 import functools
 import inspect
+from dataclasses import dataclass, asdict
+from typing import Iterable
 from collections.abc import Callable
 
 import numpy as np
@@ -12,7 +14,7 @@
 from numpy import typing as npt
 from scipy.special import expm1
 
-from process.exceptions import ProcessValidationError
+from process.exceptions import ProcessValidationError, ProcessValueError
 from process.neutronics_data import MaterialMacroInfo
 
 
@@ -121,6 +123,34 @@ def extrapolation_length(diffusion_coefficient: float) -> float:
     """
     return 0.7104 * 3 * diffusion_coefficient
 
+@dataclass
+class IntegrationConstants:
+    """
+    Inside each material, there are two new exponentials per group, i.e.
+    group n=0 has exp(x/L[0]) and exp(-x/L[0]),
+    group n=1 has exp(x/L[0]), exp(-x/L[0]), exp(x/L[1]) and exp(-x/L[1]),
+    etc.
+    To get the neutron flux, each exponential has to be scaled by an integration
+    constant. E.g.
+    group n=0: fw: fw_pos[0][0] * exp(x/L[0]) + fw_neg[0][0] * exp(-x/L[0])
+    group n=1: fw: fw_pos[1][0] * exp(x/L[0]) + fw_pos[1][1] * exp(x/L[1])
+                + fw_neg[1][0] * exp(-x/L[0]) + fw_neg[1][1] * exp(-x/L[1])
+
+    """
+    fw_pos: Iterable[float]
+    fw_neg: Iterable[float]
+    bz_pos: Iterable[float]
+    bz_neg: Iterable[float]
+
+    def validate(self, n):
+        """Validate that all fields has the correct length."""
+        for const_name, const_value in asdict(self):
+            if len(const_value)!=(n+1):
+                raise ProcessValueError(
+                    f"Expected {const_name} to have len=={n+1}, "
+                    f"got {len(const_value)} instead."
+                )
+
 
 class AutoPopulatingDict:
     """
@@ -170,8 +200,10 @@ def __contains__(self, i: int):
 
     def __setitem__(self, i: int, value: float):
         """Check if dict i is in the index or not."""
-        self._attempting_to_access.discard(i)
+        if hasattr(value, "validate"):
+            value.validate(i)
         self._dict[i] = value
+        self._attempting_to_access.discard(i)
 
     def values(self):
         return self._dict.values()

From b82b077d76b4c7d4e96cda09f43668455383ca90 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 9 Nov 2025 00:26:43 +0000
Subject: [PATCH 40/98] Made return None more explicit in some places.

---
 process/neutronics.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index fbb64815c1..59712a8443 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -307,7 +307,7 @@ def solve_lowest_group(self) -> None:
         """
         n = 0
         if n in self.integration_constants:
-            return  # skip if it has already been solved.
+            return None  # skip if it has already been solved.
         self.l_fw_2[n], d_fw = get_diffusion_coefficient_and_length(
             self.fw_mat.sigma_t_cm[n],
             self.fw_mat.sigma_s_cm[n, n],
@@ -378,6 +378,7 @@ def solve_group_n(self, n: int) -> None:
             )
         if n == 0:
             return self.solve_lowest_group()
+        # ensure all lower groups are solved.
         for k in range(n):
             if k not in self.integration_constants:
                 self.solve_group_n(k)
@@ -401,7 +402,6 @@ def solve_group_n(self, n: int) -> None:
         c4 = ...
         self.extended_boundary_cm[n] = self.x_bz_cm + extrapolation_length(d_bz)
         self.integration_constants[n] = [c1, c2, c3, c4]
-        return None
 
     @summarize_values
     def groupwise_neutron_flux_fw(

From 5bd6608efe9d3b6c4db40e467034c5446549339a Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 9 Nov 2025 00:42:06 +0000
Subject: [PATCH 41/98] self.integration_constants conversion step 1 of 3:
 groupwise_neutron_flux conversion.

---
 process/neutronics.py | 45 ++++++++++++++++++++++++++++++-------------
 1 file changed, 32 insertions(+), 13 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 59712a8443..78c157a514 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -142,10 +142,10 @@ class IntegrationConstants:
     bz_pos: Iterable[float]
     bz_neg: Iterable[float]
 
-    def validate(self, n):
+    def validate_length(self, expected_length: int):
         """Validate that all fields has the correct length."""
         for const_name, const_value in asdict(self):
-            if len(const_value)!=(n+1):
+            if len(const_value)!=expected_length:
                 raise ProcessValueError(
                     f"Expected {const_name} to have len=={n+1}, "
                     f"got {len(const_value)} instead."
@@ -200,8 +200,8 @@ def __contains__(self, i: int):
 
     def __setitem__(self, i: int, value: float):
         """Check if dict i is in the index or not."""
-        if hasattr(value, "validate"):
-            value.validate(i)
+        if hasattr(value, "validate_length"):
+            value.validate_length(i+1)
         self._dict[i] = value
         self._attempting_to_access.discard(i)
 
@@ -357,7 +357,10 @@ def solve_lowest_group(self) -> None:
         )
         c3 = -c3_c4_common_factor * np.exp(-self.extended_boundary_cm[n] / l_bz)
         c4 = c3_c4_common_factor * np.exp(self.extended_boundary_cm[n] / l_bz)
-        self.integration_constants[n] = [c1, c2, c3, c4]
+
+        self.integration_constants[n] = IntegrationConstants(
+            [c1], [c2], [c3], [c4]
+        )
 
     def solve_group_n(self, n: int) -> None:
         """
@@ -427,10 +430,18 @@ def groupwise_neutron_flux_fw(
         flux:
             Neutron flux at x meter from the first wall.
         """
-        c1, c2 = self.integration_constants[n][:2]
-        l_fw = np.sqrt(abs(self.l_fw_2[n]))
-        x_l_fw = abs(x * 100) / l_fw
-        return c1 * np.exp(x_l_fw) + c2 * np.exp(-x_l_fw)
+        x_cm = abs(x * 100)
+
+        exponentials = []
+        for i in range(n+1):
+            l_fw = np.sqrt(abs(self.l_fw_2[i]))
+            exponentials.append(
+                self.integration_constants[n].fw_pos[i] * exp(x_cm/l_fw)
+            )
+            exponentials.append(
+                self.integration_constants[n].fw_neg[i] * exp(-x_cm/l_fw)
+            )
+        return np.sum(exponential, axis=0) 
 
     @summarize_values
     def groupwise_neutron_flux_bz(
@@ -455,10 +466,18 @@ def groupwise_neutron_flux_bz(
         flux:
             Neutron flux at x meter from the first wall.
         """
-        c3, c4 = self.integration_constants[n][2:]
-        l_bz = np.sqrt(abs(self.l_bz_2[n]))
-        x_l_bz = abs(x * 100) / l_bz
-        return c3 * np.exp(x_l_bz) + c4 * np.exp(-x_l_bz)
+        x_cm = abs(x * 100)
+
+        exponentials = []
+        for i in range(n+1):
+            l_bz = np.sqrt(abs(self.l_bz_2[i]))
+            exponentials.append(
+                self.integration_constants[n].bz_pos[i] * exp(x_cm/l_bz)
+            )
+            exponentials.append(
+                self.integration_constants[n].bz_neg[i] * exp(-x_cm/l_bz)
+            )
+        return np.sum(exponential, axis=0) 
 
     @summarize_values
     def groupwise_neutron_flux_at(

From 489976c15ab503a3bf8b3aed35aafe175ee6f4d7 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 9 Nov 2025 00:54:42 +0000
Subject: [PATCH 42/98] Added d_fw and d_bz diffusion constants as attributes
 of NeutronFluxProfile.

---
 process/neutronics.py | 40 +++++++++++++++++++---------------------
 1 file changed, 19 insertions(+), 21 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 78c157a514..b72c777a36 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -259,10 +259,14 @@ def __init__(
             constants, two for fw and two for bz; each with unit: [cm^-2 s^-1]
         l_fw_2:
             square of the characteristic diffusion length as given by Reactor Analysis,
-            Duderstadt and Hamilton, applied to the fw.
+            Duderstadt and Hamilton, applied to the fw. unit: [cm]
         l_bz_2:
             square of the characteristic diffusion length as given by Reactor Analysis,
-            Duderstadt and Hamilton, applied to the bz.
+            Duderstadt and Hamilton, applied to the bz. unit: [cm]
+        d_fw_cm:
+            diffusion constants in the fw. unit: [cm]
+        d_bz_cm:
+            diffusion constants in the bz. unit: [cm]
         extended_boundary_cm:
             extended boundary (outside the bz) for each group, stored in cm.
             This value should be larger than x_bz for each of them.
@@ -294,6 +298,8 @@ def __init__(
         # diffusion lengths squared
         self.l_fw_2 = AutoPopulatingDict(self.solve_group_n, "l_fw_2")
         self.l_bz_2 = AutoPopulatingDict(self.solve_group_n, "l_bz_2")
+        self.d_fw_cm = AutoPopulatingDict(self.solve_group_n, "d_fw_cm")
+        self.d_bz_cm = AutoPopulatingDict(self.solve_group_n, "d_bz_cm")
         self.extended_boundary_cm = AutoPopulatingDict(
             self.solve_group_n, "extended_boundary_cm"
         )
@@ -308,12 +314,12 @@ def solve_lowest_group(self) -> None:
         n = 0
         if n in self.integration_constants:
             return None  # skip if it has already been solved.
-        self.l_fw_2[n], d_fw = get_diffusion_coefficient_and_length(
+        self.l_fw_2[n], self.d_fw_cm[n] = get_diffusion_coefficient_and_length(
             self.fw_mat.sigma_t_cm[n],
             self.fw_mat.sigma_s_cm[n, n],
             self.fw_mat.avg_atomic_mass,
         )
-        self.l_bz_2[n], d_bz = get_diffusion_coefficient_and_length(
+        self.l_bz_2[n], self.d_bz_cm[n] = get_diffusion_coefficient_and_length(
             self.bz_mat.sigma_t_cm[n],
             self.bz_mat.sigma_s_cm[n, n],
             self.bz_mat.avg_atomic_mass,
@@ -321,6 +327,8 @@ def solve_lowest_group(self) -> None:
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
         l_bz = np.sqrt(abs(self.l_bz_2[n]))
         x_fw, x_bz = self.x_fw_cm, self.x_bz_cm
+        d_fw = self.d_fw_cm[n]
+        d_bz = self.d_bz_cm[n]
         self.extended_boundary_cm[n] = x_bz + extrapolation_length(d_bz)
         if self.l_fw_2[n] > 0:
             sinh_fw = np.sinh(x_fw / l_fw)
@@ -387,12 +395,12 @@ def solve_group_n(self, n: int) -> None:
                 self.solve_group_n(k)
         if n in self.integration_constants:
             return None  # skip if it has already been solved.
-        self.l_fw_2[n], d_fw = get_diffusion_coefficient_and_length(
+        self.l_fw_2[n], self.d_fw_cm[n] = get_diffusion_coefficient_and_length(
             self.fw_mat.sigma_t_cm[n],
             self.fw_mat.sigma_s_cm[n, n],
             self.fw_mat.avg_atomic_mass,
         )
-        self.l_bz_2[n], d_bz = get_diffusion_coefficient_and_length(
+        self.l_bz_2[n], self.d_bz_cm[n] = get_diffusion_coefficient_and_length(
             self.bz_mat.sigma_t_cm[n],
             self.bz_mat.sigma_s_cm[n, n],
             self.bz_mat.avg_atomic_mass,
@@ -403,7 +411,7 @@ def solve_group_n(self, n: int) -> None:
         c2 = ...
         c3 = ...
         c4 = ...
-        self.extended_boundary_cm[n] = self.x_bz_cm + extrapolation_length(d_bz)
+        self.extended_boundary_cm[n] = self.x_bz_cm + extrapolation_length(self.d_bz_cm[n])
         self.integration_constants[n] = [c1, c2, c3, c4]
 
     @summarize_values
@@ -605,14 +613,9 @@ def groupwise_neutron_current_fw2bz(self, n: int) -> float:
             current in cm^-2
         """
         c1, c2, c3, c4 = self.integration_constants[n]
-        l_bz_2, d_bz = get_diffusion_coefficient_and_length(
-            self.bz_mat.sigma_t_cm[n],
-            self.bz_mat.sigma_s_cm[n, n],
-            self.bz_mat.avg_atomic_mass,
-        )
-        l_bz = np.sqrt(abs(l_bz_2))
+        l_bz = np.sqrt(abs(self.l_bz_2[n]))
         return (
-            -d_bz
+            -self.d_bz_cm[n]
             / l_bz
             * (
                 c3 * np.exp(self.x_fw_cm / l_bz)
@@ -638,14 +641,9 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
             current in cm^-2
         """
         c1, c2, c3, c4 = self.integration_constants[n]
-        l_bz_2, d_bz = get_diffusion_coefficient_and_length(
-            self.bz_mat.sigma_t_cm[n],
-            self.bz_mat.sigma_s_cm[n, n],
-            self.bz_mat.avg_atomic_mass,
-        )
-        l_bz = np.sqrt(abs(l_bz_2))
+        l_bz = np.sqrt(abs(self.l_bz_2[n]))
         return (
-            -d_bz
+            -self.d_bz_cm[n]
             / l_bz
             * (
                 c3 * np.exp(self.x_bz_cm / l_bz)

From b5de87374023b7a806052fce3aa7ce8ef7e814f8 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 9 Nov 2025 00:55:48 +0000
Subject: [PATCH 43/98] Fixed the ordering of the two arguments outputted by
 get_diffusion_coefficient_and_length

---
 process/neutronics.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index b72c777a36..1a3eaec191 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -106,7 +106,7 @@ def get_diffusion_coefficient_and_length(
     transport_xs = total_xs_cm - 2 / (3 * avg_atomic_mass) * scattering_xs_cm
     diffusion_coef = 1 / 3 / transport_xs
     diffusion_len_2 = diffusion_coef / (total_xs_cm - scattering_xs_cm)
-    return diffusion_len_2, diffusion_coef
+    return diffusion_coef, diffusion_len_2
 
 
 def extrapolation_length(diffusion_coefficient: float) -> float:
@@ -314,12 +314,12 @@ def solve_lowest_group(self) -> None:
         n = 0
         if n in self.integration_constants:
             return None  # skip if it has already been solved.
-        self.l_fw_2[n], self.d_fw_cm[n] = get_diffusion_coefficient_and_length(
+        self.d_fw_cm[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
             self.fw_mat.sigma_t_cm[n],
             self.fw_mat.sigma_s_cm[n, n],
             self.fw_mat.avg_atomic_mass,
         )
-        self.l_bz_2[n], self.d_bz_cm[n] = get_diffusion_coefficient_and_length(
+        self.d_bz_cm[n], self.l_bz_2[n] = get_diffusion_coefficient_and_length(
             self.bz_mat.sigma_t_cm[n],
             self.bz_mat.sigma_s_cm[n, n],
             self.bz_mat.avg_atomic_mass,
@@ -395,12 +395,12 @@ def solve_group_n(self, n: int) -> None:
                 self.solve_group_n(k)
         if n in self.integration_constants:
             return None  # skip if it has already been solved.
-        self.l_fw_2[n], self.d_fw_cm[n] = get_diffusion_coefficient_and_length(
+        self.d_fw_cm[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
             self.fw_mat.sigma_t_cm[n],
             self.fw_mat.sigma_s_cm[n, n],
             self.fw_mat.avg_atomic_mass,
         )
-        self.l_bz_2[n], self.d_bz_cm[n] = get_diffusion_coefficient_and_length(
+        self.d_bz_cm[n], self.l_bz_2[n] = get_diffusion_coefficient_and_length(
             self.bz_mat.sigma_t_cm[n],
             self.bz_mat.sigma_s_cm[n, n],
             self.bz_mat.avg_atomic_mass,

From 943bdeb8c148332eb74b459075e8c658bc1c20d0 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 9 Nov 2025 02:52:03 +0000
Subject: [PATCH 44/98] self.integration_constants conversion step 2 of 3:
 solve_group_n conversion.

---
 process/neutronics.py | 112 ++++++++++++++++++++++++++++++++----------
 1 file changed, 86 insertions(+), 26 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 1a3eaec191..67e38c6b0f 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -5,9 +5,8 @@
 
 import functools
 import inspect
-from dataclasses import dataclass, asdict
-from typing import Iterable
-from collections.abc import Callable
+from collections.abc import Callable, Iterable
+from dataclasses import asdict, dataclass
 
 import numpy as np
 from matplotlib import pyplot as plt
@@ -123,6 +122,7 @@ def extrapolation_length(diffusion_coefficient: float) -> float:
     """
     return 0.7104 * 3 * diffusion_coefficient
 
+
 @dataclass
 class IntegrationConstants:
     """
@@ -137,6 +137,7 @@ class IntegrationConstants:
                 + fw_neg[1][0] * exp(-x/L[0]) + fw_neg[1][1] * exp(-x/L[1])
 
     """
+
     fw_pos: Iterable[float]
     fw_neg: Iterable[float]
     bz_pos: Iterable[float]
@@ -144,10 +145,10 @@ class IntegrationConstants:
 
     def validate_length(self, expected_length: int):
         """Validate that all fields has the correct length."""
-        for const_name, const_value in asdict(self):
-            if len(const_value)!=expected_length:
+        for const_name, const_value in asdict(self).items():
+            if len(const_value) != expected_length:
                 raise ProcessValueError(
-                    f"Expected {const_name} to have len=={n+1}, "
+                    f"Expected {const_name} to have len=={expected_length}, "
                     f"got {len(const_value)} instead."
                 )
 
@@ -201,7 +202,7 @@ def __contains__(self, i: int):
     def __setitem__(self, i: int, value: float):
         """Check if dict i is in the index or not."""
         if hasattr(value, "validate_length"):
-            value.validate_length(i+1)
+            value.validate_length(i + 1)
         self._dict[i] = value
         self._attempting_to_access.discard(i)
 
@@ -211,6 +212,7 @@ def values(self):
     def __repr__(self):
         return f"AutoPopulatingDict{self._dict}"
 
+
 class NeutronFluxProfile:
     """Neutron flux in the first wall or the blanket."""
 
@@ -313,7 +315,7 @@ def solve_lowest_group(self) -> None:
         """
         n = 0
         if n in self.integration_constants:
-            return None  # skip if it has already been solved.
+            return  # skip if it has already been solved.
         self.d_fw_cm[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
             self.fw_mat.sigma_t_cm[n],
             self.fw_mat.sigma_s_cm[n, n],
@@ -363,12 +365,15 @@ def solve_lowest_group(self) -> None:
             * (1 - tanh_fw)
             / ((d_bz / l_bz) * cosh_bz + (d_fw / l_fw) * tanh_fw * sinh_bz)
         )
-        c3 = -c3_c4_common_factor * np.exp(-self.extended_boundary_cm[n] / l_bz)
+        c3 = -c3_c4_common_factor * np.exp(
+            -self.extended_boundary_cm[n] / l_bz
+        )
         c4 = c3_c4_common_factor * np.exp(self.extended_boundary_cm[n] / l_bz)
 
         self.integration_constants[n] = IntegrationConstants(
             [c1], [c2], [c3], [c4]
         )
+        return
 
     def solve_group_n(self, n: int) -> None:
         """
@@ -405,14 +410,60 @@ def solve_group_n(self, n: int) -> None:
             self.bz_mat.sigma_s_cm[n, n],
             self.bz_mat.avg_atomic_mass,
         )
-        l_fw = np.sqrt(abs(self.l_fw_2[n]))
-        l_bz = np.sqrt(abs(self.l_bz_2[n]))
+        self.extended_boundary_cm[n] = self.x_bz_cm + extrapolation_length(
+            self.d_bz_cm[n]
+        )
+
+        # Setting up aliases for shorter code
+        l_fw_2, l_bz_2 = self.l_fw_2[n], self.l_bz_2[n]
+        d_fw, d_bz = self.d_fw_cm[n], self.d_bz_cm[n]
+        ic = self.integration_constants
+        fw_sigma_s, bz_sigma_s = self.fw_mat.sigma_s, self.bz_mat.sigma_s
+
+        _ic_n = IntegrationConstants([], [], [], [])
+        for g in range(n):
+            if np.isclose(diff_fw := self.l_fw_2[g] - l_fw_2, 0):
+                raise ProcessValueError(
+                    f"Singularity encountered when calculating group {n}'s "
+                    "flux in fw, specifically the scale factor for the exponential "
+                    f"used to cancel out the group {g}'s neutron fluxes."
+                )
+            if np.isclose(diff_bz := self.l_bz_2[g] - l_bz_2, 0):
+                raise ProcessValueError(
+                    f"Singularity encountered when calculating group {n}'s "
+                    "flux in bz, specifically the scale factor for the exponential "
+                    f"used to cancel out the group {g}'s neutron fluxes."
+                )
+            scale_factor_fw = (l_fw_2 * self.l_fw_2[g]) / d_fw / diff_fw
+            scale_factor_bz = (l_bz_2 * self.l_bz_2[g]) / d_bz / diff_bz
+            _ic_n.fw_pos.append(
+                sum(fw_sigma_s[i, n] * ic[i].fw_pos[g] for i in range(g, n))
+                * scale_factor_fw
+            )
+            _ic_n.fw_neg.append(
+                sum(fw_sigma_s[i, n] * ic[i].fw_neg[g] for i in range(g, n))
+                * scale_factor_fw
+            )
+            _ic_n.bz_pos.append(
+                sum(bz_sigma_s[i, n] * ic[i].bz_pos[g] for i in range(g, n))
+                * scale_factor_bz
+            )
+            _ic_n.bz_neg.append(
+                sum(bz_sigma_s[i, n] * ic[i].bz_neg[g] for i in range(g, n))
+                * scale_factor_bz
+            )
+        l_fw = np.sqrt(abs(l_fw_2))
+        l_bz = np.sqrt(abs(l_bz_2))
         c1 = ...
         c2 = ...
         c3 = ...
         c4 = ...
-        self.extended_boundary_cm[n] = self.x_bz_cm + extrapolation_length(self.d_bz_cm[n])
-        self.integration_constants[n] = [c1, c2, c3, c4]
+        _ic_n.fw_pos.append(c1)
+        _ic_n.fw_neg.append(c2)
+        _ic_n.bz_pos.append(c3)
+        _ic_n.bz_neg.append(c4)
+        self.integration_constants[n] = _ic_n
+        return None
 
     @summarize_values
     def groupwise_neutron_flux_fw(
@@ -441,15 +492,15 @@ def groupwise_neutron_flux_fw(
         x_cm = abs(x * 100)
 
         exponentials = []
-        for i in range(n+1):
+        for i in range(n + 1):
             l_fw = np.sqrt(abs(self.l_fw_2[i]))
             exponentials.append(
-                self.integration_constants[n].fw_pos[i] * exp(x_cm/l_fw)
+                self.integration_constants[n].fw_pos[i] * np.exp(x_cm / l_fw)
             )
             exponentials.append(
-                self.integration_constants[n].fw_neg[i] * exp(-x_cm/l_fw)
+                self.integration_constants[n].fw_neg[i] * np.exp(-x_cm / l_fw)
             )
-        return np.sum(exponential, axis=0) 
+        return np.sum(exponentials, axis=0)
 
     @summarize_values
     def groupwise_neutron_flux_bz(
@@ -477,15 +528,15 @@ def groupwise_neutron_flux_bz(
         x_cm = abs(x * 100)
 
         exponentials = []
-        for i in range(n+1):
+        for i in range(n + 1):
             l_bz = np.sqrt(abs(self.l_bz_2[i]))
             exponentials.append(
-                self.integration_constants[n].bz_pos[i] * exp(x_cm/l_bz)
+                self.integration_constants[n].bz_pos[i] * np.exp(x_cm / l_bz)
             )
             exponentials.append(
-                self.integration_constants[n].bz_neg[i] * exp(-x_cm/l_bz)
+                self.integration_constants[n].bz_neg[i] * np.exp(-x_cm / l_bz)
             )
-        return np.sum(exponential, axis=0) 
+        return np.sum(exponentials, axis=0)
 
     @summarize_values
     def groupwise_neutron_flux_at(
@@ -557,8 +608,13 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
             )
-        return sigma * l_fw * (
-            c1 * expm1(self.x_fw_cm / l_fw) - c2 * expm1(-self.x_fw_cm / l_fw)
+        return (
+            sigma
+            * l_fw
+            * (
+                c1 * expm1(self.x_fw_cm / l_fw)
+                - c2 * expm1(-self.x_fw_cm / l_fw)
+            )
         )
 
     @summarize_values
@@ -592,9 +648,13 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
         # thicknesses in terms of bz path lengths
         bz_thick = (self.x_bz_cm - self.x_fw_cm) / l_bz
         fw_thick = self.x_fw_cm / l_bz
-        return sigma * l_bz * (
-            c3 * expm1(bz_thick) * np.exp(fw_thick)
-            - c4 * expm1(-bz_thick) * np.exp(-fw_thick)
+        return (
+            sigma
+            * l_bz
+            * (
+                c3 * expm1(bz_thick) * np.exp(fw_thick)
+                - c4 * expm1(-bz_thick) * np.exp(-fw_thick)
+            )
         )
 
     @summarize_values

From 868d07c4ab32d5454a5620fe9092a279988dd4b4 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 9 Nov 2025 04:25:44 +0000
Subject: [PATCH 45/98] self.integration_constants conversion step 3 of 3:
 neutron current and reaction rate conversion. Conversion is now complete.

---
 process/neutronics.py | 118 +++++++++++++++++++++---------------------
 1 file changed, 60 insertions(+), 58 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 67e38c6b0f..1265ba642f 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -492,13 +492,13 @@ def groupwise_neutron_flux_fw(
         x_cm = abs(x * 100)
 
         exponentials = []
-        for i in range(n + 1):
-            l_fw = np.sqrt(abs(self.l_fw_2[i]))
+        for g in range(n + 1):
+            l_fw = np.sqrt(abs(self.l_fw_2[g]))
             exponentials.append(
-                self.integration_constants[n].fw_pos[i] * np.exp(x_cm / l_fw)
+                self.integration_constants[n].fw_pos[g] * np.exp(x_cm / l_fw)
             )
             exponentials.append(
-                self.integration_constants[n].fw_neg[i] * np.exp(-x_cm / l_fw)
+                self.integration_constants[n].fw_neg[g] * np.exp(-x_cm / l_fw)
             )
         return np.sum(exponentials, axis=0)
 
@@ -528,13 +528,13 @@ def groupwise_neutron_flux_bz(
         x_cm = abs(x * 100)
 
         exponentials = []
-        for i in range(n + 1):
-            l_bz = np.sqrt(abs(self.l_bz_2[i]))
+        for g in range(n + 1):
+            l_bz = np.sqrt(abs(self.l_bz_2[g]))
             exponentials.append(
-                self.integration_constants[n].bz_pos[i] * np.exp(x_cm / l_bz)
+                self.integration_constants[n].bz_pos[g] * np.exp(x_cm / l_bz)
             )
             exponentials.append(
-                self.integration_constants[n].bz_neg[i] * np.exp(-x_cm / l_bz)
+                self.integration_constants[n].bz_neg[g] * np.exp(-x_cm / l_bz)
             )
         return np.sum(exponentials, axis=0)
 
@@ -593,13 +593,6 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
             string of either {"total","removal"}.
 
         """
-        l_fw = np.sqrt(abs(self.l_fw_2[n]))
-        if n > 0:
-            raise NotImplementedError(
-                "We have not done the integration for "
-                "higher energy groups' fluxes yet."
-            )
-        c1, c2, c3, c4 = self.integration_constants[n]
         if reaction_type == "removal":
             sigma = self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n].sum()
         elif reaction_type == "total":
@@ -608,14 +601,17 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
             )
-        return (
-            sigma
-            * l_fw
-            * (
-                c1 * expm1(self.x_fw_cm / l_fw)
-                - c2 * expm1(-self.x_fw_cm / l_fw)
+
+        integrals = []
+        for g in range(n + 1):
+            l_fw = np.sqrt(abs(self.l_fw_2[g]))
+            integrals.append(
+                l_fw * self.integration_constants[n].fw_pos[g] * expm1(self.x_fw_cm / l_fw)
             )
-        )
+            integrals.append(
+                - l_fw * self.integration_constants[n].fw_neg[g] * expm1(-self.x_fw_cm / l_fw)
+            )
+        return sigma * np.sum(integrals, axis=0)
 
     @summarize_values
     def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
@@ -630,13 +626,6 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
             string of either {"total","removal"}.
 
         """
-        l_bz = np.sqrt(abs(self.l_bz_2[n]))
-        if n > 0:
-            raise NotImplementedError(
-                "We have not done the integration for "
-                "higher energy groups' fluxes yet."
-            )
-        c1, c2, c3, c4 = self.integration_constants[n]
         if reaction_type == "removal":
             sigma = self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n].sum()
         elif reaction_type == "total":
@@ -646,16 +635,21 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
                 f"Not yet implemented the reaction type {reaction_type}"
             )
         # thicknesses in terms of bz path lengths
-        bz_thick = (self.x_bz_cm - self.x_fw_cm) / l_bz
-        fw_thick = self.x_fw_cm / l_bz
-        return (
-            sigma
-            * l_bz
-            * (
-                c3 * expm1(bz_thick) * np.exp(fw_thick)
-                - c4 * expm1(-bz_thick) * np.exp(-fw_thick)
+
+        integrals = []
+        for g in range(n + 1):
+            l_bz = np.sqrt(abs(self.l_bz_2[g]))
+            bz_thick = (self.x_bz_cm - self.x_fw_cm) / l_bz
+            fw_thick = self.x_fw_cm / l_bz
+            integrals.append(
+                l_bz * self.integration_constants[n].bz_pos[g]
+                * expm1(bz_thick) * np.exp(fw_thick)
             )
-        )
+            integrals.append(
+                - l_bz * self.integration_constants[n].bz_neg[g]
+                * expm1(-bz_thick) * np.exp(-fw_thick)
+            )
+        return sigma * np.sum(integrals, axis=0)
 
     @summarize_values
     def groupwise_neutron_current_fw2bz(self, n: int) -> float:
@@ -672,18 +666,27 @@ def groupwise_neutron_current_fw2bz(self, n: int) -> float:
         :
             current in cm^-2
         """
-        c1, c2, c3, c4 = self.integration_constants[n]
-        l_bz = np.sqrt(abs(self.l_bz_2[n]))
-        return (
-            -self.d_bz_cm[n]
-            / l_bz
-            * (
-                c3 * np.exp(self.x_fw_cm / l_bz)
-                - c4 * np.exp(-self.x_fw_cm / l_bz)
+        differentials = []
+        for g in range(n + 1):
+            l_bz = np.sqrt(abs(self.l_bz_2[g]))
+            differentials.append(
+                1/ l_bz * self.integration_constants[n].bz_pos[g] * np.exp(self.x_fw_cm / l_bz)
             )
-        )
-        # equivalent definition below: (should yield the same answer)
-        # return - d_fw / l_fw * (c1 * np.exp(x_fw/l_fw) - c2 * np.exp(-x_fw/l_fw))
+            differentials.append(
+                - 1/l_bz * self.integration_constants[n].bz_neg[g] * np.exp(-self.x_fw_cm / l_bz)
+            )
+        return - self.d_bz_cm[n] * np.sum(differentials, axis=0)
+
+        # # equivalent definition below: (should yield the same answer)
+        # for g in range(n + 1):
+        #     l_fw = np.sqrt(abs(self.l_fw_2[g]))
+        #     differentials.append(
+        #         1/ l_fw * self.integration_constants[n].fw_pos[g] * np.exp(self.x_fw_cm / l_fw)
+        #     )
+        #     differentials.append(
+        #         - 1/l_fw * self.integration_constants[n].fw_neg[g] * np.exp(-self.x_fw_cm / l_fw)
+        #     )
+        # return - self.d_fw_cm[n] * np.sum(differentials, axis=0)
 
     @summarize_values
     def groupwise_neutron_current_escaped(self, n: int) -> float:
@@ -700,16 +703,15 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
         :
             current in cm^-2
         """
-        c1, c2, c3, c4 = self.integration_constants[n]
-        l_bz = np.sqrt(abs(self.l_bz_2[n]))
-        return (
-            -self.d_bz_cm[n]
-            / l_bz
-            * (
-                c3 * np.exp(self.x_bz_cm / l_bz)
-                - c4 * np.exp(-self.x_bz_cm / l_bz)
+        for g in range(n + 1):
+            l_bz = np.sqrt(abs(self.l_bz_2[g]))
+            differentials.append(
+                1/ l_bz * self.integration_constants[n].bz_pos[g] * np.exp(self.x_bz_cm / l_bz)
             )
-        )
+            differentials.append(
+                - 1/l_bz * self.integration_constants[n].bz_neg[g] * np.exp(-self.x_bz_cm / l_bz)
+            )
+        return - self.d_bz_cm[n] * np.sum(differentials, axis=0)
 
     def plot(
         self,

From aa3525d05c5611b3155eb09d9e4600d2719f3377 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 9 Nov 2025 04:32:32 +0000
Subject: [PATCH 46/98] Fixed regression test

---
 process/neutronics.py               |  1 +
 tests/regression/test_neutronics.py | 14 ++++++++------
 2 files changed, 9 insertions(+), 6 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 1265ba642f..3e5252a9e2 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -703,6 +703,7 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
         :
             current in cm^-2
         """
+        differentials = []
         for g in range(n + 1):
             l_bz = np.sqrt(abs(self.l_bz_2[g]))
             differentials.append(
diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 8e69b3ba6c..5fd6e9b1ab 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -32,11 +32,11 @@ def test_against_desmos_number():
         incoming_flux, x_fw, x_bz, fw_material, bz_material
     )
     
-    c1, c2, c3, c4 = neutron_profile.integration_constants[0]
-    assert np.isclose(c1, 1.98923249017), "Integration constant c1."
-    assert np.isclose(c2, 78.5454445887), "Integration constant c2."
-    assert np.isclose(c3, -0.0126020377605), "Integration constant c3."
-    assert np.isclose(c4, 60.6997676395), "Integration constant c4."
+    const = neutron_profile.integration_constants[0]  # alias to fit line width
+    assert np.isclose(const.fw_pos, 1.98923249017), "c1"
+    assert np.isclose(const.fw_neg, 78.5454445887), "c2"
+    assert np.isclose(const.bz_pos, -0.0126020377605), "c3"
+    assert np.isclose(const.bz_neg, 60.6997676395), "c4"
 
     assert np.isclose(neutron_profile.neutron_flux_fw(x_fw), 48.72444)
     assert np.isclose(neutron_profile.neutron_flux_bz(x_fw), 48.72444)
@@ -49,4 +49,6 @@ def test_against_desmos_number():
         neutron_profile.neutron_current_escaped()
         + neutron_profile.reaction_rate_fw("removal")
         + neutron_profile.reaction_rate_bz("removal")
-    )
\ No newline at end of file
+    )
+def test_one_group_with_fission():
+    """Expecting a cosine-shape (dome shape!) of neutron flux profile"""

From 0b85ff3af095d2ce0477859c7d6c4837108994fd Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 9 Nov 2025 06:36:06 +0000
Subject: [PATCH 47/98] Wrote up the solver for higher order groups, not tested
 yet.

---
 process/neutronics.py | 293 ++++++++++++++++++++++++++++++------------
 1 file changed, 210 insertions(+), 83 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 3e5252a9e2..38ea8a21fb 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -12,6 +12,7 @@
 from matplotlib import pyplot as plt
 from numpy import typing as npt
 from scipy.special import expm1
+from scipy import optimize
 
 from process.exceptions import ProcessValidationError, ProcessValueError
 from process.neutronics_data import MaterialMacroInfo
@@ -398,6 +399,10 @@ def solve_group_n(self, n: int) -> None:
         for k in range(n):
             if k not in self.integration_constants:
                 self.solve_group_n(k)
+        if self.fw_mat.contains_upscatter or self.bz_mat.contains_upscatter:
+            raise NotImplementedError(
+                "Will implement solve_group_n in a loop later..."
+            )
         if n in self.integration_constants:
             return None  # skip if it has already been solved.
         self.d_fw_cm[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
@@ -452,16 +457,48 @@ def solve_group_n(self, n: int) -> None:
                 sum(bz_sigma_s[i, n] * ic[i].bz_neg[g] for i in range(g, n))
                 * scale_factor_bz
             )
-        l_fw = np.sqrt(abs(l_fw_2))
-        l_bz = np.sqrt(abs(l_bz_2))
-        c1 = ...
-        c2 = ...
-        c3 = ...
-        c4 = ...
+
+        c1, c2, c3, c4 = 0.0, 0.0, 0.0, 0.0
         _ic_n.fw_pos.append(c1)
         _ic_n.fw_neg.append(c2)
         _ic_n.bz_pos.append(c3)
         _ic_n.bz_neg.append(c4)
+
+        def set_constants(input_vector: Iterable[float]):
+            c1, c2, c3, c4 = input_vector
+            _ic_n.fw_pos[n] = c1
+            _ic_n.fw_neg[n] = c2
+            _ic_n.bz_pos[n] = c3
+            _ic_n.bz_neg[n] = c4
+
+        def evaluate_fit():
+            flux_continuity = _groupwise_neutron_flux_fw(_ic_n, self, n, self.x_fw_cm) - _groupwise_neutron_flux_bz(_ic_n, self, n, self.x_fw_cm)
+            flux_at_boundary = _groupwise_neutron_flux_bz(_ic_n, self, n, self.extended_boundary_cm[n])
+            current_continuity = _groupwise_neutron_current_fw2bz(_ic_n, self, n, True) - _groupwise_neutron_current_fw2bz(_ic_n, self, n, False)
+            influx_fw, influx_bz = 0.0, 0.0
+            for g in range(n):
+                influx_fw += self.fw_mat.sigma_s_cm[g,n] * _groupwise_integrated_flux_fw(self.integration_constants[g], self, g)
+                influx_bz += self.bz_mat.sigma_s_cm[g,n] * _groupwise_integrated_flux_bz(self.integration_constants[g], self, g)
+            removal_fw = (self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n].sum()) * _groupwise_neutron_flux_fw(_ic_n, self, n)
+            removal_bz = (self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n].sum()) * _groupwise_neutron_flux_bz(_ic_n, self, n)
+            neutron_conservation = influx_fw + influx_bz - removal_fw - removal_bz - _groupwise_neutron_current_escaped(_ic_n, self, n)
+            # in fact, we can separate the last condition (neutron conservation)
+            # into two regions: fw and bz
+            # which gives:
+            # conservation_fw = influx_fw - removal_fw - _groupwise_neutron_current_fw2bz(_ic_n, self, n, True)
+            # conservation_bz = influx_bz - removal_bz - _groupwise_neutron_current_fw2bz(_ic_n, self, n, False) - _groupwise_neutron_current_escaped(_ic_n, self, n)
+            return np.array([
+                flux_continuity,
+                flux_at_boundary,
+                current_continuity,
+                neutron_conservation,
+            ])
+
+        def objective(four_integration_constants_vector):
+            set_constants(four_integration_constants_vector)
+            return evaluate_fit()
+
+        optimize.root(set_constants, x0=[c1,c2,c3,c4])
         self.integration_constants[n] = _ic_n
         return None
 
@@ -491,16 +528,9 @@ def groupwise_neutron_flux_fw(
         """
         x_cm = abs(x * 100)
 
-        exponentials = []
-        for g in range(n + 1):
-            l_fw = np.sqrt(abs(self.l_fw_2[g]))
-            exponentials.append(
-                self.integration_constants[n].fw_pos[g] * np.exp(x_cm / l_fw)
-            )
-            exponentials.append(
-                self.integration_constants[n].fw_neg[g] * np.exp(-x_cm / l_fw)
-            )
-        return np.sum(exponentials, axis=0)
+        return _groupwise_neutron_flux_fw(
+            self.integration_constants[n], self, n, x_cm,
+        )
 
     @summarize_values
     def groupwise_neutron_flux_bz(
@@ -527,16 +557,9 @@ def groupwise_neutron_flux_bz(
         """
         x_cm = abs(x * 100)
 
-        exponentials = []
-        for g in range(n + 1):
-            l_bz = np.sqrt(abs(self.l_bz_2[g]))
-            exponentials.append(
-                self.integration_constants[n].bz_pos[g] * np.exp(x_cm / l_bz)
-            )
-            exponentials.append(
-                self.integration_constants[n].bz_neg[g] * np.exp(-x_cm / l_bz)
-            )
-        return np.sum(exponentials, axis=0)
+        return _groupwise_neutron_flux_bz(
+            self.integration_constants[n], self, n, x_cm,
+        )
 
     @summarize_values
     def groupwise_neutron_flux_at(
@@ -601,17 +624,9 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
             )
-
-        integrals = []
-        for g in range(n + 1):
-            l_fw = np.sqrt(abs(self.l_fw_2[g]))
-            integrals.append(
-                l_fw * self.integration_constants[n].fw_pos[g] * expm1(self.x_fw_cm / l_fw)
-            )
-            integrals.append(
-                - l_fw * self.integration_constants[n].fw_neg[g] * expm1(-self.x_fw_cm / l_fw)
-            )
-        return sigma * np.sum(integrals, axis=0)
+        return sigma * _groupwise_integrated_flux_fw(
+            self.integration_constants[n], self, n,
+        )
 
     @summarize_values
     def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
@@ -634,22 +649,11 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
             raise NotImplementedError(
                 f"Not yet implemented the reaction type {reaction_type}"
             )
-        # thicknesses in terms of bz path lengths
 
-        integrals = []
-        for g in range(n + 1):
-            l_bz = np.sqrt(abs(self.l_bz_2[g]))
-            bz_thick = (self.x_bz_cm - self.x_fw_cm) / l_bz
-            fw_thick = self.x_fw_cm / l_bz
-            integrals.append(
-                l_bz * self.integration_constants[n].bz_pos[g]
-                * expm1(bz_thick) * np.exp(fw_thick)
-            )
-            integrals.append(
-                - l_bz * self.integration_constants[n].bz_neg[g]
-                * expm1(-bz_thick) * np.exp(-fw_thick)
-            )
-        return sigma * np.sum(integrals, axis=0)
+        return sigma * _groupwise_integrated_flux_bz(
+            self.integration_constants[n], self, n,
+        )
+        
 
     @summarize_values
     def groupwise_neutron_current_fw2bz(self, n: int) -> float:
@@ -666,27 +670,9 @@ def groupwise_neutron_current_fw2bz(self, n: int) -> float:
         :
             current in cm^-2
         """
-        differentials = []
-        for g in range(n + 1):
-            l_bz = np.sqrt(abs(self.l_bz_2[g]))
-            differentials.append(
-                1/ l_bz * self.integration_constants[n].bz_pos[g] * np.exp(self.x_fw_cm / l_bz)
-            )
-            differentials.append(
-                - 1/l_bz * self.integration_constants[n].bz_neg[g] * np.exp(-self.x_fw_cm / l_bz)
-            )
-        return - self.d_bz_cm[n] * np.sum(differentials, axis=0)
-
-        # # equivalent definition below: (should yield the same answer)
-        # for g in range(n + 1):
-        #     l_fw = np.sqrt(abs(self.l_fw_2[g]))
-        #     differentials.append(
-        #         1/ l_fw * self.integration_constants[n].fw_pos[g] * np.exp(self.x_fw_cm / l_fw)
-        #     )
-        #     differentials.append(
-        #         - 1/l_fw * self.integration_constants[n].fw_neg[g] * np.exp(-self.x_fw_cm / l_fw)
-        #     )
-        # return - self.d_fw_cm[n] * np.sum(differentials, axis=0)
+        return _groupwise_neutron_current_fw2bz(
+            self.integration_constants[n], self, n, False
+        )
 
     @summarize_values
     def groupwise_neutron_current_escaped(self, n: int) -> float:
@@ -703,16 +689,10 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
         :
             current in cm^-2
         """
-        differentials = []
-        for g in range(n + 1):
-            l_bz = np.sqrt(abs(self.l_bz_2[g]))
-            differentials.append(
-                1/ l_bz * self.integration_constants[n].bz_pos[g] * np.exp(self.x_bz_cm / l_bz)
-            )
-            differentials.append(
-                - 1/l_bz * self.integration_constants[n].bz_neg[g] * np.exp(-self.x_bz_cm / l_bz)
-            )
-        return - self.d_bz_cm[n] * np.sum(differentials, axis=0)
+        return _groupwise_neutron_current_escaped(
+            self.integration_constants[n], self, n,
+        )
+
 
     def plot(
         self,
@@ -800,6 +780,153 @@ def plot(
         ax.set_ylabel("Neutron flux [cm^-2 s^-1]")
         return ax
 
+def _groupwise_neutron_flux_fw(
+    int_const: IntegrationConstants,
+    self: NeutronFluxProfile, n: int, x_cm: float | npt.NDArray,
+) -> npt.NDArray:
+    """
+    Calculate groupwise_neutron_flux_fw for NeutronFluxProfile, but 
+    in such a way that doesn't trigger the re-calculation of integration_constants
+    (which would've led to RecursionError if called within solve_group_n).
+    """
+    exponentials = []
+    for g in range(n + 1):
+        l_fw = np.sqrt(abs(self.l_fw_2[g]))
+        exponentials.append(
+            int_const.fw_pos[g] * np.exp(x_cm / l_fw)
+        )
+        exponentials.append(
+            int_const.fw_neg[g] * np.exp(-x_cm / l_fw)
+        )
+    return np.sum(exponentials, axis=0)
+
+def _groupwise_neutron_flux_bz(
+    int_const: IntegrationConstants,
+    self: NeutronFluxProfile, n: int, x_cm: float | npt.NDArray,
+) -> npt.NDArray:
+    """
+    Calculate groupwise_neutron_flux_bz for NeutronFluxProfile, but 
+    in such a way that doesn't trigger the re-calculation of integration_constants
+    (which would've led to RecursionError if called within solve_group_n).
+    """
+    exponentials = []
+    for g in range(n + 1):
+        l_bz = np.sqrt(abs(self.l_bz_2[g]))
+        exponentials.append(
+            int_const.bz_pos[g] * np.exp(x_cm / l_bz)
+        )
+        exponentials.append(
+            int_const.bz_neg[g] * np.exp(-x_cm / l_bz)
+        )
+    return np.sum(exponentials, axis=0)
+
+def _groupwise_integrated_flux_fw(
+    int_const: IntegrationConstants,
+    self: NeutronFluxProfile, n: int
+) -> float:
+    """
+    Help calculate groupwise_reaction_rate_fw for NeutronFluxProfile, but 
+    in such a way that doesn't trigger the re-calculation of integration_constants
+    (which would've led to RecursionError if called within solve_group_n).
+    """
+
+    integrals = []
+    for g in range(n + 1):
+        l_fw = np.sqrt(abs(self.l_fw_2[g]))
+        integrals.append(
+            l_fw * int_const.fw_pos[g] * expm1(self.x_fw_cm / l_fw)
+        )
+        integrals.append(
+            - l_fw * int_const.fw_neg[g] * expm1(-self.x_fw_cm / l_fw)
+        )
+    return np.sum(integrals, axis=0)
+
+def _groupwise_integrated_flux_bz(
+    int_const: IntegrationConstants,
+    self: NeutronFluxProfile, n: int
+) -> float:
+    """
+    Help calculate groupwise_reaction_rate_bz for NeutronFluxProfile, but 
+    in such a way that doesn't trigger the re-calculation of integration_constants
+    (which would've led to RecursionError if called within solve_group_n).
+    """
+    
+    integrals = []
+    for g in range(n + 1):
+        l_bz = np.sqrt(abs(self.l_bz_2[g]))
+        bz_thick = (self.x_bz_cm - self.x_fw_cm) / l_bz
+        fw_thick = self.x_fw_cm / l_bz
+        integrals.append(
+            l_bz * int_const.bz_pos[g]
+            * expm1(bz_thick) * np.exp(fw_thick)
+        )
+        integrals.append(
+            - l_bz * int_const.bz_neg[g]
+            * expm1(-bz_thick) * np.exp(-fw_thick)
+        )
+    return np.sum(integrals, axis=0)
+
+
+def _groupwise_neutron_current_fw2bz(
+    int_const: IntegrationConstants, self: NeutronFluxProfile, n: int,
+    alt_implementation: bool=False
+) -> float:
+    """
+    Calculate groupwise_neutron_current_fw2bz for NeutronFluxProfile, but 
+    in such a way that doesn't trigger the re-calculation of integration_constants
+    (which would've led to RecursionError if called within solve_group_n).
+
+    Returns
+    -------
+    :
+        current in cm^-2
+    """
+    differentials = []
+    if alt_implementation:
+        for g in range(n + 1):
+            l_fw = np.sqrt(abs(self.l_fw_2[g]))
+            differentials.append(
+                1/ l_fw * int_const.fw_pos[g] * np.exp(self.x_fw_cm / l_fw)
+            )
+            differentials.append(
+                - 1/l_fw * int_const.fw_neg[g] * np.exp(-self.x_fw_cm / l_fw)
+            )
+        return - self.d_fw_cm[n] * np.sum(differentials, axis=0)
+
+    # equivalent definition below: (should yield the same answer once converged)
+    for g in range(n + 1):
+        l_bz = np.sqrt(abs(self.l_bz_2[g]))
+        differentials.append(
+            1/ l_bz * int_const.bz_pos[g] * np.exp(self.x_fw_cm / l_bz)
+        )
+        differentials.append(
+            - 1/l_bz * int_const.bz_neg[g] * np.exp(-self.x_fw_cm / l_bz)
+        )
+    return - self.d_bz_cm[n] * np.sum(differentials, axis=0)
+
+def _groupwise_neutron_current_escaped(
+    int_const: IntegrationConstants, self: NeutronFluxProfile, n: int,
+) -> float:
+    """
+    Calculate groupwise_neutron_current_escaped for NeutronFluxProfile, but 
+    in such a way that doesn't trigger the re-calculation of integration_constants
+    (which would've led to RecursionError if called within solve_group_n).
+
+    Returns
+    -------
+    :
+        current in cm^-2
+    """
+    differentials = []
+    for g in range(n + 1):
+        l_bz = np.sqrt(abs(self.l_bz_2[g]))
+        differentials.append(
+            1/ l_bz * int_const.bz_pos[g] * np.exp(self.x_bz_cm / l_bz)
+        )
+        differentials.append(
+            - 1/l_bz * int_const.bz_neg[g] * np.exp(-self.x_bz_cm / l_bz)
+        )
+    return - self.d_bz_cm[n] * np.sum(differentials, axis=0)
 
 def _generate_x_range(
     x_max_cm: float,

From 5640fbabef838b544dd7a0af12d14e83e20b5c7e Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Tue, 11 Nov 2025 14:36:15 +0000
Subject: [PATCH 48/98] Handled events of same-characteristic-lengths more
 gracefully.

---
 process/neutronics.py | 22 ++++++++++------------
 1 file changed, 10 insertions(+), 12 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 38ea8a21fb..0eb820b7c3 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -427,20 +427,18 @@ def solve_group_n(self, n: int) -> None:
 
         _ic_n = IntegrationConstants([], [], [], [])
         for g in range(n):
+            # if the characteristic length of group [g] coincides with the
+            # characteristic length of group [n], then that particular
+            # exponential would be indistinguishable from group [n]'s
+            # exponential anyways, therefore we can set the coefficient to 0.
             if np.isclose(diff_fw := self.l_fw_2[g] - l_fw_2, 0):
-                raise ProcessValueError(
-                    f"Singularity encountered when calculating group {n}'s "
-                    "flux in fw, specifically the scale factor for the exponential "
-                    f"used to cancel out the group {g}'s neutron fluxes."
-                )
+                scale_factor_fw = 0.0
+            else:
+                scale_factor_fw = (l_fw_2 * self.l_fw_2[g]) / d_fw / diff_fw
             if np.isclose(diff_bz := self.l_bz_2[g] - l_bz_2, 0):
-                raise ProcessValueError(
-                    f"Singularity encountered when calculating group {n}'s "
-                    "flux in bz, specifically the scale factor for the exponential "
-                    f"used to cancel out the group {g}'s neutron fluxes."
-                )
-            scale_factor_fw = (l_fw_2 * self.l_fw_2[g]) / d_fw / diff_fw
-            scale_factor_bz = (l_bz_2 * self.l_bz_2[g]) / d_bz / diff_bz
+                scale_factor_bz = 0.0
+            else:
+                scale_factor_bz = (l_bz_2 * self.l_bz_2[g]) / d_bz / diff_bz
             _ic_n.fw_pos.append(
                 sum(fw_sigma_s[i, n] * ic[i].fw_pos[g] for i in range(g, n))
                 * scale_factor_fw

From ec61dec10d51b5490d30f66afd6bc4f22e87ec25 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Tue, 11 Nov 2025 17:52:06 +0000
Subject: [PATCH 49/98] Added validation to warn when there's elastic
 upscatter, or error when there's too much scattering cross-section, or warn
 when group structure bin edges reaching 0.

---
 process/neutronics_data.py    | 35 ++++++++++++++++++-------
 tests/unit/test_neutronics.py | 49 +++++++++++++++++++++++++++++++++--
 2 files changed, 73 insertions(+), 11 deletions(-)

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index 3a99cd1d18..3daad19bcd 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -1,3 +1,4 @@
+import warnings
 from dataclasses import dataclass
 from itertools import islice, pairwise
 from pathlib import Path
@@ -470,19 +471,26 @@ def __post_init__(self):
         shapes are correct.
         """
         # force into float or numpy arrays of floats.
+        self.group_structure = np.array(self.group_structure, dtype=float)
+        self.avg_atomic_mass = float(self.avg_atomic_mass)
         self.sigma_t = np.array(self.sigma_t, dtype=float)
         self.sigma_s = np.array(self.sigma_s, dtype=float)
-        self.group_structure = np.clip(self.group_structure, 1e-9, np.inf)
-        self.avg_atomic_mass = float(self.avg_atomic_mass)
-
-        if (np.diff(self.group_structure) > 0).any():
+        if self.sigma_in:
+            self.sigma_in = np.array(self.sigma_in, dtype=float)
+        else:
+            self.sigma_in = np.zeros_like(self.sigma_s)
+
+        if (self.group_structure<=0).any():
+            warnings.warn("Zero energy (inf. lethargy) not allowed.")
+            self.group_structure = np.clip(self.group_structure, 1e-9, np.inf)
+        if (np.diff(self.group_structure) >= 0).any():
             raise ValueError(
-                "The group structure must be defined beginning from the highest energy "
-                "bin (i.e. lowest lethargy bin) edge, descending to the lowest energy. "
-                "Similarly the cross-section must be arranged with the highest energy "
-                "group first, and the lowest energy group last."
+                "The group structure must be defined descendingly, from the "
+                "highest energy bin (i.e. lowest lethargy bin) edge to the "
+                "lowest energy bin edge, which can't be zero (infinite "
+                "lethargy). Similarly the cross-section must be arranged "
+                "according to these bin edges."
             )
-
         if np.shape(self.sigma_t) != (self.n_groups,):
             raise ProcessValidationError(
                 f"total group-wise cross-sections should have {self.n_groups} "
@@ -493,6 +501,15 @@ def __post_init__(self):
                 "Group-wise scattering cross-sections be a square matrix of "
                 f"shape n*n, where n= number of groups = {self.n_groups}."
             )
+        if (self.sigma_s.sum(axis=1) > self.sigma_t).any():
+            raise ProcessValidationError(
+                "Total cross-section should include the scattering cross-section."
+            )
+        if np.tril(self.sigma_s, k=-1).any():
+            warnings.warn(
+                "Elastic up-scattering seems unlikely in this model! "
+                "Check if the group structure is chosen correctly?",
+            )
         self.sigma_t_cm = self.sigma_t/100
         self.sigma_s_cm = self.sigma_s/100
 
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 1825e8852e..878c80cc69 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -1,19 +1,53 @@
 import pytest
 
-from process.exceptions import ProcessValidationError
+from process.exceptions import ProcessValidationError, ProcessValueError
 from process.neutronics import NeutronFluxProfile
 from process.neutronics_data import MaterialMacroInfo
 
 
+def test_group_structure_0_energy():
+    with pytest.warns():
+        MaterialMacroInfo(
+            [1.0, 0.0],
+            0.1,
+            [1.0],
+            [[1.0]],
+        )
+
 def test_group_structure_too_short():
     with pytest.raises(ProcessValidationError):
         MaterialMacroInfo(
+            [1.0],
+            0.1,
             [1.0],
             [[1.0]],
-            [0.0],
+        )
+
+def test_sigma_s_incorrect_shape():
+    with pytest.raises(ProcessValidationError):
+        MaterialMacroInfo(
+            [1000, 10, 1.0],
             0.1,
+            [1.0, 2.0],
+            [1.0, 1.0],
         )
 
+def test_sigma_s_too_large():
+    with pytest.raises(ProcessValidationError):
+        MaterialMacroInfo(
+            [1000, 10, 1.0],
+            0.1,
+            [1.0, 2.0],
+            [[1.0, 1.0], [1.0, 1.0]],
+        )
+def test_warn_up_elastic_scatter():
+    with pytest.warns():
+        MaterialMacroInfo(
+            [1000, 10, 1.0],
+            0.1,
+            [1.0, 2.0],
+            [[0.5, 0.5], [1.0, 1.0]],
+        )
 
 def test_has_local_fluxes():
     """Test that the groupwise decorator has worked on the local fluxes methods."""
@@ -39,3 +73,14 @@ def test_has_reactions():
     assert hasattr(NeutronFluxProfile, "reaction_rate_fw")
     assert hasattr(NeutronFluxProfile, "groupwise_reaction_rate_bz")
     assert hasattr(NeutronFluxProfile, "reaction_rate_bz")
+
+def test_three_group():
+    # no negative flux
+    dummy = [10000, 1000, 100, 1]
+    # fw_mat = MaterialMacroInfo()
+    bz_mat = MaterialMacroInfo
+    # same L_1 and L_3 shoudl yield integration_constants[2].fw_pos[0] and
+    # integration_constants[2].fw_neg[0] = 0.0
+
+def test_two_group():
+    """"""
\ No newline at end of file

From bf51d7b5a0f259e0fb48c934e89af61c28b5e35f Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Tue, 11 Nov 2025 17:54:18 +0000
Subject: [PATCH 50/98] ruff fixes.

---
 tests/unit/test_neutronics.py | 12 ++++++++++--
 1 file changed, 10 insertions(+), 2 deletions(-)

diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 878c80cc69..8ebefa95c0 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -1,6 +1,6 @@
 import pytest
 
-from process.exceptions import ProcessValidationError, ProcessValueError
+from process.exceptions import ProcessValidationError
 from process.neutronics import NeutronFluxProfile
 from process.neutronics_data import MaterialMacroInfo
 
@@ -14,6 +14,7 @@ def test_group_structure_0_energy():
             [[1.0]],
         )
 
+
 def test_group_structure_too_short():
     with pytest.raises(ProcessValidationError):
         MaterialMacroInfo(
@@ -23,6 +24,7 @@ def test_group_structure_too_short():
             [[1.0]],
         )
 
+
 def test_sigma_s_incorrect_shape():
     with pytest.raises(ProcessValidationError):
         MaterialMacroInfo(
@@ -32,6 +34,7 @@ def test_sigma_s_incorrect_shape():
             [1.0, 1.0],
         )
 
+
 def test_sigma_s_too_large():
     with pytest.raises(ProcessValidationError):
         MaterialMacroInfo(
@@ -40,6 +43,8 @@ def test_sigma_s_too_large():
             [1.0, 2.0],
             [[1.0, 1.0], [1.0, 1.0]],
         )
+
+
 def test_warn_up_elastic_scatter():
     with pytest.warns():
         MaterialMacroInfo(
@@ -49,6 +54,7 @@ def test_warn_up_elastic_scatter():
             [[0.5, 0.5], [1.0, 1.0]],
         )
 
+
 def test_has_local_fluxes():
     """Test that the groupwise decorator has worked on the local fluxes methods."""
     assert hasattr(NeutronFluxProfile, "neutron_flux_at")
@@ -74,6 +80,7 @@ def test_has_reactions():
     assert hasattr(NeutronFluxProfile, "groupwise_reaction_rate_bz")
     assert hasattr(NeutronFluxProfile, "reaction_rate_bz")
 
+
 def test_three_group():
     # no negative flux
     dummy = [10000, 1000, 100, 1]
@@ -82,5 +89,6 @@ def test_three_group():
     # same L_1 and L_3 shoudl yield integration_constants[2].fw_pos[0] and
     # integration_constants[2].fw_neg[0] = 0.0
 
+
 def test_two_group():
-    """"""
\ No newline at end of file
+    """"""

From d48f5f67a4c0edeb9480f59960e7aa020fbc551a Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Tue, 11 Nov 2025 17:55:31 +0000
Subject: [PATCH 51/98] Separated the in_source matrix from the scattering
 matrix in MaterialMacroInfo.

---
 process/neutronics.py      | 188 +++++++++++++++++++++++--------------
 process/neutronics_data.py |  47 +++++-----
 2 files changed, 141 insertions(+), 94 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 0eb820b7c3..3d51ba2b16 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -11,8 +11,8 @@
 import numpy as np
 from matplotlib import pyplot as plt
 from numpy import typing as npt
-from scipy.special import expm1
 from scipy import optimize
+from scipy.special import expm1
 
 from process.exceptions import ProcessValidationError, ProcessValueError
 from process.neutronics_data import MaterialMacroInfo
@@ -67,7 +67,10 @@ def __set_name__(self, owner, name):
 
 
 def get_diffusion_coefficient_and_length(
-    total_xs_cm: float, scattering_xs_cm: float, avg_atomic_mass: float
+    avg_atomic_mass: float,
+    total_xs_cm: float,
+    scattering_xs_cm: float,
+    in_source_xs_cm: float,
 ) -> tuple[float, float]:
     r"""
     Calculate the diffusion coefficient for a given scattering and total macro-scopic
@@ -105,7 +108,9 @@ def get_diffusion_coefficient_and_length(
 
     transport_xs = total_xs_cm - 2 / (3 * avg_atomic_mass) * scattering_xs_cm
     diffusion_coef = 1 / 3 / transport_xs
-    diffusion_len_2 = diffusion_coef / (total_xs_cm - scattering_xs_cm)
+    diffusion_len_2 = diffusion_coef / (
+        total_xs_cm - scattering_xs_cm - in_source_xs_cm
+    )
     return diffusion_coef, diffusion_len_2
 
 
@@ -318,14 +323,16 @@ def solve_lowest_group(self) -> None:
         if n in self.integration_constants:
             return  # skip if it has already been solved.
         self.d_fw_cm[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
+            self.fw_mat.avg_atomic_mass,
             self.fw_mat.sigma_t_cm[n],
             self.fw_mat.sigma_s_cm[n, n],
-            self.fw_mat.avg_atomic_mass,
+            self.fw_mat.sigma_in_cm[n, n],
         )
         self.d_bz_cm[n], self.l_bz_2[n] = get_diffusion_coefficient_and_length(
+            self.bz_mat.avg_atomic_mass,
             self.bz_mat.sigma_t_cm[n],
             self.bz_mat.sigma_s_cm[n, n],
-            self.bz_mat.avg_atomic_mass,
+            self.bz_mat.sigma_in_cm[n, n],
         )
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
         l_bz = np.sqrt(abs(self.l_bz_2[n]))
@@ -399,21 +406,23 @@ def solve_group_n(self, n: int) -> None:
         for k in range(n):
             if k not in self.integration_constants:
                 self.solve_group_n(k)
-        if self.fw_mat.contains_upscatter or self.bz_mat.contains_upscatter:
+        if not (self.fw_mat.downscatter_only and self.bz_mat.downscatter_only):
             raise NotImplementedError(
                 "Will implement solve_group_n in a loop later..."
             )
         if n in self.integration_constants:
             return None  # skip if it has already been solved.
         self.d_fw_cm[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
+            self.fw_mat.avg_atomic_mass,
             self.fw_mat.sigma_t_cm[n],
             self.fw_mat.sigma_s_cm[n, n],
-            self.fw_mat.avg_atomic_mass,
+            self.fw_mat.sigma_in_cm[n, n],
         )
         self.d_bz_cm[n], self.l_bz_2[n] = get_diffusion_coefficient_and_length(
+            self.bz_mat.avg_atomic_mass,
             self.bz_mat.sigma_t_cm[n],
             self.bz_mat.sigma_s_cm[n, n],
-            self.bz_mat.avg_atomic_mass,
+            self.bz_mat.sigma_in_cm[n, n],
         )
         self.extended_boundary_cm[n] = self.x_bz_cm + extrapolation_length(
             self.d_bz_cm[n]
@@ -423,7 +432,8 @@ def solve_group_n(self, n: int) -> None:
         l_fw_2, l_bz_2 = self.l_fw_2[n], self.l_bz_2[n]
         d_fw, d_bz = self.d_fw_cm[n], self.d_bz_cm[n]
         ic = self.integration_constants
-        fw_sigma_s, bz_sigma_s = self.fw_mat.sigma_s, self.bz_mat.sigma_s
+        src_fw = self.fw_mat.sigma_s_cm + self.fw_mat.sigma_in_cm
+        src_bz = self.bz_mat.sigma_s_cm + self.bz_mat.sigma_in_cm
 
         _ic_n = IntegrationConstants([], [], [], [])
         for g in range(n):
@@ -440,19 +450,19 @@ def solve_group_n(self, n: int) -> None:
             else:
                 scale_factor_bz = (l_bz_2 * self.l_bz_2[g]) / d_bz / diff_bz
             _ic_n.fw_pos.append(
-                sum(fw_sigma_s[i, n] * ic[i].fw_pos[g] for i in range(g, n))
+                sum(src_fw[i, n] * ic[i].fw_pos[g] for i in range(g, n))
                 * scale_factor_fw
             )
             _ic_n.fw_neg.append(
-                sum(fw_sigma_s[i, n] * ic[i].fw_neg[g] for i in range(g, n))
+                sum(src_fw[i, n] * ic[i].fw_neg[g] for i in range(g, n))
                 * scale_factor_fw
             )
             _ic_n.bz_pos.append(
-                sum(bz_sigma_s[i, n] * ic[i].bz_pos[g] for i in range(g, n))
+                sum(src_bz[i, n] * ic[i].bz_pos[g] for i in range(g, n))
                 * scale_factor_bz
             )
             _ic_n.bz_neg.append(
-                sum(bz_sigma_s[i, n] * ic[i].bz_neg[g] for i in range(g, n))
+                sum(src_bz[i, n] * ic[i].bz_neg[g] for i in range(g, n))
                 * scale_factor_bz
             )
 
@@ -470,16 +480,40 @@ def set_constants(input_vector: Iterable[float]):
             _ic_n.bz_neg[n] = c4
 
         def evaluate_fit():
-            flux_continuity = _groupwise_neutron_flux_fw(_ic_n, self, n, self.x_fw_cm) - _groupwise_neutron_flux_bz(_ic_n, self, n, self.x_fw_cm)
-            flux_at_boundary = _groupwise_neutron_flux_bz(_ic_n, self, n, self.extended_boundary_cm[n])
-            current_continuity = _groupwise_neutron_current_fw2bz(_ic_n, self, n, True) - _groupwise_neutron_current_fw2bz(_ic_n, self, n, False)
+            flux_continuity = _groupwise_neutron_flux_fw(
+                _ic_n, self, n, self.x_fw_cm
+            ) - _groupwise_neutron_flux_bz(_ic_n, self, n, self.x_fw_cm)
+            flux_at_boundary = _groupwise_neutron_flux_bz(
+                _ic_n, self, n, self.extended_boundary_cm[n]
+            )
+            current_continuity = _groupwise_neutron_current_fw2bz(
+                _ic_n, self, n, True
+            ) - _groupwise_neutron_current_fw2bz(_ic_n, self, n, False)
             influx_fw, influx_bz = 0.0, 0.0
             for g in range(n):
-                influx_fw += self.fw_mat.sigma_s_cm[g,n] * _groupwise_integrated_flux_fw(self.integration_constants[g], self, g)
-                influx_bz += self.bz_mat.sigma_s_cm[g,n] * _groupwise_integrated_flux_bz(self.integration_constants[g], self, g)
-            removal_fw = (self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n].sum()) * _groupwise_neutron_flux_fw(_ic_n, self, n)
-            removal_bz = (self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n].sum()) * _groupwise_neutron_flux_bz(_ic_n, self, n)
-            neutron_conservation = influx_fw + influx_bz - removal_fw - removal_bz - _groupwise_neutron_current_escaped(_ic_n, self, n)
+                influx_fw += self.fw_mat.sigma_s_cm[
+                    g, n
+                ] * _groupwise_integrated_flux_fw(
+                    self.integration_constants[g], self, g
+                )
+                influx_bz += self.bz_mat.sigma_s_cm[
+                    g, n
+                ] * _groupwise_integrated_flux_bz(
+                    self.integration_constants[g], self, g
+                )
+            removal_fw = (
+                self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n].sum()
+            ) * _groupwise_neutron_flux_fw(_ic_n, self, n)
+            removal_bz = (
+                self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n].sum()
+            ) * _groupwise_neutron_flux_bz(_ic_n, self, n)
+            neutron_conservation = (
+                influx_fw
+                + influx_bz
+                - removal_fw
+                - removal_bz
+                - _groupwise_neutron_current_escaped(_ic_n, self, n)
+            )
             # in fact, we can separate the last condition (neutron conservation)
             # into two regions: fw and bz
             # which gives:
@@ -496,7 +530,7 @@ def objective(four_integration_constants_vector):
             set_constants(four_integration_constants_vector)
             return evaluate_fit()
 
-        optimize.root(set_constants, x0=[c1,c2,c3,c4])
+        optimize.root(set_constants, x0=[c1, c2, c3, c4])
         self.integration_constants[n] = _ic_n
         return None
 
@@ -527,7 +561,10 @@ def groupwise_neutron_flux_fw(
         x_cm = abs(x * 100)
 
         return _groupwise_neutron_flux_fw(
-            self.integration_constants[n], self, n, x_cm,
+            self.integration_constants[n],
+            self,
+            n,
+            x_cm,
         )
 
     @summarize_values
@@ -556,7 +593,10 @@ def groupwise_neutron_flux_bz(
         x_cm = abs(x * 100)
 
         return _groupwise_neutron_flux_bz(
-            self.integration_constants[n], self, n, x_cm,
+            self.integration_constants[n],
+            self,
+            n,
+            x_cm,
         )
 
     @summarize_values
@@ -623,7 +663,9 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
                 f"Not yet implemented the reaction type {reaction_type}"
             )
         return sigma * _groupwise_integrated_flux_fw(
-            self.integration_constants[n], self, n,
+            self.integration_constants[n],
+            self,
+            n,
         )
 
     @summarize_values
@@ -649,9 +691,10 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
             )
 
         return sigma * _groupwise_integrated_flux_bz(
-            self.integration_constants[n], self, n,
+            self.integration_constants[n],
+            self,
+            n,
         )
-        
 
     @summarize_values
     def groupwise_neutron_current_fw2bz(self, n: int) -> float:
@@ -688,10 +731,11 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
             current in cm^-2
         """
         return _groupwise_neutron_current_escaped(
-            self.integration_constants[n], self, n,
+            self.integration_constants[n],
+            self,
+            n,
         )
 
-
     def plot(
         self,
         ax: plt.Axes | None = None,
@@ -778,52 +822,50 @@ def plot(
         ax.set_ylabel("Neutron flux [cm^-2 s^-1]")
         return ax
 
+
 def _groupwise_neutron_flux_fw(
     int_const: IntegrationConstants,
-    self: NeutronFluxProfile, n: int, x_cm: float | npt.NDArray,
+    self: NeutronFluxProfile,
+    n: int,
+    x_cm: float | npt.NDArray,
 ) -> npt.NDArray:
     """
-    Calculate groupwise_neutron_flux_fw for NeutronFluxProfile, but 
+    Calculate groupwise_neutron_flux_fw for NeutronFluxProfile, but
     in such a way that doesn't trigger the re-calculation of integration_constants
     (which would've led to RecursionError if called within solve_group_n).
     """
     exponentials = []
     for g in range(n + 1):
         l_fw = np.sqrt(abs(self.l_fw_2[g]))
-        exponentials.append(
-            int_const.fw_pos[g] * np.exp(x_cm / l_fw)
-        )
-        exponentials.append(
-            int_const.fw_neg[g] * np.exp(-x_cm / l_fw)
-        )
+        exponentials.append(int_const.fw_pos[g] * np.exp(x_cm / l_fw))
+        exponentials.append(int_const.fw_neg[g] * np.exp(-x_cm / l_fw))
     return np.sum(exponentials, axis=0)
 
+
 def _groupwise_neutron_flux_bz(
     int_const: IntegrationConstants,
-    self: NeutronFluxProfile, n: int, x_cm: float | npt.NDArray,
+    self: NeutronFluxProfile,
+    n: int,
+    x_cm: float | npt.NDArray,
 ) -> npt.NDArray:
     """
-    Calculate groupwise_neutron_flux_bz for NeutronFluxProfile, but 
+    Calculate groupwise_neutron_flux_bz for NeutronFluxProfile, but
     in such a way that doesn't trigger the re-calculation of integration_constants
     (which would've led to RecursionError if called within solve_group_n).
     """
     exponentials = []
     for g in range(n + 1):
         l_bz = np.sqrt(abs(self.l_bz_2[g]))
-        exponentials.append(
-            int_const.bz_pos[g] * np.exp(x_cm / l_bz)
-        )
-        exponentials.append(
-            int_const.bz_neg[g] * np.exp(-x_cm / l_bz)
-        )
+        exponentials.append(int_const.bz_pos[g] * np.exp(x_cm / l_bz))
+        exponentials.append(int_const.bz_neg[g] * np.exp(-x_cm / l_bz))
     return np.sum(exponentials, axis=0)
 
+
 def _groupwise_integrated_flux_fw(
-    int_const: IntegrationConstants,
-    self: NeutronFluxProfile, n: int
+    int_const: IntegrationConstants, self: NeutronFluxProfile, n: int
 ) -> float:
     """
-    Help calculate groupwise_reaction_rate_fw for NeutronFluxProfile, but 
+    Help calculate groupwise_reaction_rate_fw for NeutronFluxProfile, but
     in such a way that doesn't trigger the re-calculation of integration_constants
     (which would've led to RecursionError if called within solve_group_n).
     """
@@ -835,42 +877,42 @@ def _groupwise_integrated_flux_fw(
             l_fw * int_const.fw_pos[g] * expm1(self.x_fw_cm / l_fw)
         )
         integrals.append(
-            - l_fw * int_const.fw_neg[g] * expm1(-self.x_fw_cm / l_fw)
+            -l_fw * int_const.fw_neg[g] * expm1(-self.x_fw_cm / l_fw)
         )
     return np.sum(integrals, axis=0)
 
+
 def _groupwise_integrated_flux_bz(
-    int_const: IntegrationConstants,
-    self: NeutronFluxProfile, n: int
+    int_const: IntegrationConstants, self: NeutronFluxProfile, n: int
 ) -> float:
     """
-    Help calculate groupwise_reaction_rate_bz for NeutronFluxProfile, but 
+    Help calculate groupwise_reaction_rate_bz for NeutronFluxProfile, but
     in such a way that doesn't trigger the re-calculation of integration_constants
     (which would've led to RecursionError if called within solve_group_n).
     """
-    
+
     integrals = []
     for g in range(n + 1):
         l_bz = np.sqrt(abs(self.l_bz_2[g]))
         bz_thick = (self.x_bz_cm - self.x_fw_cm) / l_bz
         fw_thick = self.x_fw_cm / l_bz
         integrals.append(
-            l_bz * int_const.bz_pos[g]
-            * expm1(bz_thick) * np.exp(fw_thick)
+            l_bz * int_const.bz_pos[g] * expm1(bz_thick) * np.exp(fw_thick)
         )
         integrals.append(
-            - l_bz * int_const.bz_neg[g]
-            * expm1(-bz_thick) * np.exp(-fw_thick)
+            -l_bz * int_const.bz_neg[g] * expm1(-bz_thick) * np.exp(-fw_thick)
         )
     return np.sum(integrals, axis=0)
 
 
 def _groupwise_neutron_current_fw2bz(
-    int_const: IntegrationConstants, self: NeutronFluxProfile, n: int,
-    alt_implementation: bool=False
+    int_const: IntegrationConstants,
+    self: NeutronFluxProfile,
+    n: int,
+    alt_implementation: bool = False,
 ) -> float:
     """
-    Calculate groupwise_neutron_current_fw2bz for NeutronFluxProfile, but 
+    Calculate groupwise_neutron_current_fw2bz for NeutronFluxProfile, but
     in such a way that doesn't trigger the re-calculation of integration_constants
     (which would've led to RecursionError if called within solve_group_n).
 
@@ -884,29 +926,32 @@ def _groupwise_neutron_current_fw2bz(
         for g in range(n + 1):
             l_fw = np.sqrt(abs(self.l_fw_2[g]))
             differentials.append(
-                1/ l_fw * int_const.fw_pos[g] * np.exp(self.x_fw_cm / l_fw)
+                1 / l_fw * int_const.fw_pos[g] * np.exp(self.x_fw_cm / l_fw)
             )
             differentials.append(
-                - 1/l_fw * int_const.fw_neg[g] * np.exp(-self.x_fw_cm / l_fw)
+                -1 / l_fw * int_const.fw_neg[g] * np.exp(-self.x_fw_cm / l_fw)
             )
-        return - self.d_fw_cm[n] * np.sum(differentials, axis=0)
+        return -self.d_fw_cm[n] * np.sum(differentials, axis=0)
 
     # equivalent definition below: (should yield the same answer once converged)
     for g in range(n + 1):
         l_bz = np.sqrt(abs(self.l_bz_2[g]))
         differentials.append(
-            1/ l_bz * int_const.bz_pos[g] * np.exp(self.x_fw_cm / l_bz)
+            1 / l_bz * int_const.bz_pos[g] * np.exp(self.x_fw_cm / l_bz)
         )
         differentials.append(
-            - 1/l_bz * int_const.bz_neg[g] * np.exp(-self.x_fw_cm / l_bz)
+            -1 / l_bz * int_const.bz_neg[g] * np.exp(-self.x_fw_cm / l_bz)
         )
-    return - self.d_bz_cm[n] * np.sum(differentials, axis=0)
+    return -self.d_bz_cm[n] * np.sum(differentials, axis=0)
+
 
 def _groupwise_neutron_current_escaped(
-    int_const: IntegrationConstants, self: NeutronFluxProfile, n: int,
+    int_const: IntegrationConstants,
+    self: NeutronFluxProfile,
+    n: int,
 ) -> float:
     """
-    Calculate groupwise_neutron_current_escaped for NeutronFluxProfile, but 
+    Calculate groupwise_neutron_current_escaped for NeutronFluxProfile, but
     in such a way that doesn't trigger the re-calculation of integration_constants
     (which would've led to RecursionError if called within solve_group_n).
 
@@ -919,12 +964,13 @@ def _groupwise_neutron_current_escaped(
     for g in range(n + 1):
         l_bz = np.sqrt(abs(self.l_bz_2[g]))
         differentials.append(
-            1/ l_bz * int_const.bz_pos[g] * np.exp(self.x_bz_cm / l_bz)
+            1 / l_bz * int_const.bz_pos[g] * np.exp(self.x_bz_cm / l_bz)
         )
         differentials.append(
-            - 1/l_bz * int_const.bz_neg[g] * np.exp(-self.x_bz_cm / l_bz)
+            -1 / l_bz * int_const.bz_neg[g] * np.exp(-self.x_bz_cm / l_bz)
         )
-    return - self.d_bz_cm[n] * np.sum(differentials, axis=0)
+    return -self.d_bz_cm[n] * np.sum(differentials, axis=0)
+
 
 def _generate_x_range(
     x_max_cm: float,
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index 3daad19bcd..cec79b5db2 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -460,10 +460,11 @@ class MaterialMacroInfo:
         average atomic mass (weighted by fraction)
     """
 
-    sigma_t: npt.NDArray[np.float64]
-    sigma_s: npt.NDArray
     group_structure: npt.NDArray
     avg_atomic_mass: float
+    sigma_t: npt.NDArray[np.float64]
+    sigma_s: npt.NDArray
+    sigma_in: npt.NDArray | None = None
 
     def __post_init__(self):
         """
@@ -480,7 +481,7 @@ def __post_init__(self):
         else:
             self.sigma_in = np.zeros_like(self.sigma_s)
 
-        if (self.group_structure<=0).any():
+        if (self.group_structure <= 0).any():
             warnings.warn("Zero energy (inf. lethargy) not allowed.")
             self.group_structure = np.clip(self.group_structure, 1e-9, np.inf)
         if (np.diff(self.group_structure) >= 0).any():
@@ -510,8 +511,9 @@ def __post_init__(self):
                 "Elastic up-scattering seems unlikely in this model! "
                 "Check if the group structure is chosen correctly?",
             )
-        self.sigma_t_cm = self.sigma_t/100
-        self.sigma_s_cm = self.sigma_s/100
+        self.sigma_t_cm = self.sigma_t / 100
+        self.sigma_s_cm = self.sigma_s / 100
+        self.sigma_in_cm = self.sigma_in / 100
 
     @property
     def n_groups(self):
@@ -536,11 +538,10 @@ def downscatter_only(self):
         as neutron fluxes in higher-lethargy groups in turn affects the neutron
         flux in lower-lethargy groups.
         """
-        return ~self.contains_upscatter
-
-    @property
-    def contains_upscatter(self):
-        return np.tril(self.sigma_s, k=-1).any()
+        return ~(
+            np.tril(self.sigma_s, k=-1).any()
+            or np.tril(self.sigma_in, k=-1).any()
+        )
 
 
 def get_material_nuclear_data(
@@ -572,6 +573,7 @@ def get_material_nuclear_data(
     density = material_density_data_bank[material]
     composition = material_composition_data_bank[material]
     avg_atomic_mass = get_avg_atomic_mass(composition)
+    n_groups = len(group_structure) - 1
 
     # dicts of {"isotope": npt.NDArray[np.float64] 1D/2D arrays}
     micro_total_xs = {}
@@ -618,21 +620,20 @@ def get_material_nuclear_data(
     discrete_macro_scattering_xs = calculate_average_macro_xs(
         composition, micro_scattering_xs, density
     )
-    discrete_macro_n2n_xs = calculate_average_macro_xs(
-        composition, micro_n2n_xs, density
-    )
-    discrete_macro_fission_xs = calculate_average_macro_xs(
-        composition, micro_fiss_xs, density
-    )
-    source_matrix = (
-        discrete_macro_scattering_xs
-        + discrete_macro_n2n_xs
-        + discrete_macro_fission_xs
-    )
+    source_matrix = np.zeros([n_groups, n_groups], dtype=float)
+    if micro_n2n_xs:
+        source_matrix += calculate_average_macro_xs(
+            composition, micro_n2n_xs, density
+        )
+    if micro_fiss_xs:
+        source_matrix += calculate_average_macro_xs(
+            composition, micro_fiss_xs, density
+        )
 
     return MaterialMacroInfo(
-        discrete_macro_total_xs,
-        source_matrix,
         group_structure,
         avg_atomic_mass,
+        discrete_macro_total_xs,
+        discrete_macro_scattering_xs,
+        source_matrix,
     )

From f6f018bffd7267e4447bc34f42b148d930b6bb4e Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 12 Nov 2025 02:37:04 +0000
Subject: [PATCH 52/98] Turned the base functions from exp(x),exp(-x) to
 cosh(x),sinh(x); such that when the characteristic length goes imaginary, the
 function simply becomes cos(x),sin(x).

---
 process/neutronics.py               | 170 +++++++++++++++-------------
 tests/regression/test_neutronics.py |  59 ++++++++--
 2 files changed, 138 insertions(+), 91 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 3d51ba2b16..6ea343bfaf 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -132,22 +132,22 @@ def extrapolation_length(diffusion_coefficient: float) -> float:
 @dataclass
 class IntegrationConstants:
     """
-    Inside each material, there are two new exponentials per group, i.e.
-    group n=0 has exp(x/L[0]) and exp(-x/L[0]),
-    group n=1 has exp(x/L[0]), exp(-x/L[0]), exp(x/L[1]) and exp(-x/L[1]),
+    Inside each material, there are two new hyperbolic trig funcs per group, i.e.
+    group n=0 has cosh(x/L[0]) and sinh(x/L[0]),
+    group n=1 has cosh(x/L[0]), sinh(x/L[0]), cosh(x/L[1]) and sinh(x/L[1]),
     etc.
-    To get the neutron flux, each exponential has to be scaled by an integration
+    To get the neutron flux, each trig func has to be scaled by an integration
     constant. E.g.
-    group n=0: fw: fw_pos[0][0] * exp(x/L[0]) + fw_neg[0][0] * exp(-x/L[0])
-    group n=1: fw: fw_pos[1][0] * exp(x/L[0]) + fw_pos[1][1] * exp(x/L[1])
-                + fw_neg[1][0] * exp(-x/L[0]) + fw_neg[1][1] * exp(-x/L[1])
+    group n=0: fw: fw_c[0][0] * cosh(x/L[0]) + fw_s[0][0] * sinh(x/L[0])
+    group n=1: fw: fw_c[1][0] * cosh(x/L[0]) + fw_c[1][1] * cosh(x/L[1])
+                + fw_s[1][0] * sinh(x/L[0]) + fw_s[1][1] * sinh(x/L[1])
 
     """
 
-    fw_pos: Iterable[float]
-    fw_neg: Iterable[float]
-    bz_pos: Iterable[float]
-    bz_neg: Iterable[float]
+    fw_c: Iterable[float]
+    fw_s: Iterable[float]
+    bz_c: Iterable[float]
+    bz_s: Iterable[float]
 
     def validate_length(self, expected_length: int):
         """Validate that all fields has the correct length."""
@@ -341,45 +341,47 @@ def solve_lowest_group(self) -> None:
         d_bz = self.d_bz_cm[n]
         self.extended_boundary_cm[n] = x_bz + extrapolation_length(d_bz)
         if self.l_fw_2[n] > 0:
-            sinh_fw = np.sinh(x_fw / l_fw)
-            cosh_fw = np.cosh(x_fw / l_fw)
-            tanh_fw = np.tanh(x_fw / l_fw)
+            s_fw = np.sinh(x_fw / l_fw)
+            c_fw = np.cosh(x_fw / l_fw)
+            t_fw = np.tanh(x_fw / l_fw)
         else:
-            sinh_fw = np.sin(x_fw / l_fw)
-            cosh_fw = np.cos(x_fw / l_fw)
-            tanh_fw = np.tan(x_fw / l_fw)
+            s_fw = np.sin(x_fw / l_fw)
+            c_fw = np.cos(x_fw / l_fw)
+            t_fw = np.tan(x_fw / l_fw)
         if self.l_bz_2[n] > 0:
-            sinh_bz = np.sinh((self.extended_boundary_cm[n] - x_fw) / l_bz)
-            cosh_bz = np.cosh((self.extended_boundary_cm[n] - x_fw) / l_bz)
-            tanh_bz = np.tanh((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            c_bz = np.cosh(self.extended_boundary_cm[n] / l_bz)
+            s_bz = np.sinh(self.extended_boundary_cm[n] / l_bz)
+            c_bz_mod = np.cosh((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            s_bz_mod = np.sinh((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            t_bz_mod = np.tanh((self.extended_boundary_cm[n] - x_fw) / l_bz)
         else:
-            sinh_bz = np.sin((self.extended_boundary_cm[n] - x_fw) / l_bz)
-            cosh_bz = np.cos((self.extended_boundary_cm[n] - x_fw) / l_bz)
-            tanh_bz = np.tan((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            c_bz = np.cos(self.extended_boundary_cm[n] / l_bz)
+            s_bz = np.sin(self.extended_boundary_cm[n] / l_bz)
+            c_bz_mod = np.cos((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            s_bz_mod = np.sin((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            t_bz_mod = np.tan((self.extended_boundary_cm[n] - x_fw) / l_bz)
+
+        c5 = - self.flux * (
+            l_fw / d_fw 
+            - np.exp(x_fw / l_fw) * (
+                    (l_fw / d_fw) + (l_bz / d_bz) * t_bz_mod
+                )/(
+                    c_fw + s_fw * t_bz_mod * (d_fw / l_fw) * (l_bz / d_bz)
+                )
+            )
+        c6 = - self.flux * l_fw / d_fw
 
-        c2 = (
+        c7_c8_common_factor = (
             self.flux
             * np.exp(x_fw / l_fw)
-            / 2
-            * ((l_fw / d_fw) + (l_bz / d_bz) * tanh_bz)
-            / (cosh_fw + sinh_fw * tanh_bz * (d_fw / l_fw) * (l_bz / d_bz))
+            * (1 - t_fw)
+            / ((d_bz / l_bz) * c_bz_mod + (d_fw / l_fw) * t_fw * s_bz_mod)
         )
-        c1 = c2 - l_fw / d_fw * self.flux
-
-        c3_c4_common_factor = (
-            self.flux
-            * np.exp(x_fw / l_fw)
-            / 2
-            * (1 - tanh_fw)
-            / ((d_bz / l_bz) * cosh_bz + (d_fw / l_fw) * tanh_fw * sinh_bz)
-        )
-        c3 = -c3_c4_common_factor * np.exp(
-            -self.extended_boundary_cm[n] / l_bz
-        )
-        c4 = c3_c4_common_factor * np.exp(self.extended_boundary_cm[n] / l_bz)
+        c7 = c7_c8_common_factor * s_bz
+        c8 = -c7_c8_common_factor * c_bz
 
         self.integration_constants[n] = IntegrationConstants(
-            [c1], [c2], [c3], [c4]
+            [c5], [c6], [c7], [c8]
         )
         return
 
@@ -439,8 +441,8 @@ def solve_group_n(self, n: int) -> None:
         for g in range(n):
             # if the characteristic length of group [g] coincides with the
             # characteristic length of group [n], then that particular
-            # exponential would be indistinguishable from group [n]'s
-            # exponential anyways, therefore we can set the coefficient to 0.
+            # cosh/sinh would be indistinguishable from group [n]'s
+            # cosh/sinh anyways, therefore we can set the coefficient to 0.
             if np.isclose(diff_fw := self.l_fw_2[g] - l_fw_2, 0):
                 scale_factor_fw = 0.0
             else:
@@ -449,35 +451,35 @@ def solve_group_n(self, n: int) -> None:
                 scale_factor_bz = 0.0
             else:
                 scale_factor_bz = (l_bz_2 * self.l_bz_2[g]) / d_bz / diff_bz
-            _ic_n.fw_pos.append(
-                sum(src_fw[i, n] * ic[i].fw_pos[g] for i in range(g, n))
+            _ic_n.fw_c.append(
+                sum(src_fw[i, n] * ic[i].fw_c[g] for i in range(g, n))
                 * scale_factor_fw
             )
-            _ic_n.fw_neg.append(
-                sum(src_fw[i, n] * ic[i].fw_neg[g] for i in range(g, n))
+            _ic_n.fw_s.append(
+                sum(src_fw[i, n] * ic[i].fw_s[g] for i in range(g, n))
                 * scale_factor_fw
             )
-            _ic_n.bz_pos.append(
-                sum(src_bz[i, n] * ic[i].bz_pos[g] for i in range(g, n))
+            _ic_n.bz_c.append(
+                sum(src_bz[i, n] * ic[i].bz_c[g] for i in range(g, n))
                 * scale_factor_bz
             )
-            _ic_n.bz_neg.append(
-                sum(src_bz[i, n] * ic[i].bz_neg[g] for i in range(g, n))
+            _ic_n.bz_s.append(
+                sum(src_bz[i, n] * ic[i].bz_s[g] for i in range(g, n))
                 * scale_factor_bz
             )
 
         c1, c2, c3, c4 = 0.0, 0.0, 0.0, 0.0
-        _ic_n.fw_pos.append(c1)
-        _ic_n.fw_neg.append(c2)
-        _ic_n.bz_pos.append(c3)
-        _ic_n.bz_neg.append(c4)
+        _ic_n.fw_c.append(c1)
+        _ic_n.fw_s.append(c2)
+        _ic_n.bz_c.append(c3)
+        _ic_n.bz_s.append(c4)
 
         def set_constants(input_vector: Iterable[float]):
             c1, c2, c3, c4 = input_vector
-            _ic_n.fw_pos[n] = c1
-            _ic_n.fw_neg[n] = c2
-            _ic_n.bz_pos[n] = c3
-            _ic_n.bz_neg[n] = c4
+            _ic_n.fw_c[n] = c1
+            _ic_n.fw_s[n] = c2
+            _ic_n.bz_c[n] = c3
+            _ic_n.bz_s[n] = c4
 
         def evaluate_fit():
             flux_continuity = _groupwise_neutron_flux_fw(
@@ -834,12 +836,17 @@ def _groupwise_neutron_flux_fw(
     in such a way that doesn't trigger the re-calculation of integration_constants
     (which would've led to RecursionError if called within solve_group_n).
     """
-    exponentials = []
+    trig_funcs = []
     for g in range(n + 1):
-        l_fw = np.sqrt(abs(self.l_fw_2[g]))
-        exponentials.append(int_const.fw_pos[g] * np.exp(x_cm / l_fw))
-        exponentials.append(int_const.fw_neg[g] * np.exp(-x_cm / l_fw))
-    return np.sum(exponentials, axis=0)
+        l_fw_2 = self.l_fw_2[g]
+        if l_fw_2>0:
+            c, s = np.cosh, np.sinh
+        else:
+            c, s = np.cos, np.sin
+        l_fw = np.sqrt(abs(l_fw_2))
+        trig_funcs.append(int_const.fw_c[g] * c(x_cm / l_fw))
+        trig_funcs.append(int_const.fw_s[g] * s(x_cm / l_fw))
+    return np.sum(trig_funcs, axis=0)
 
 
 def _groupwise_neutron_flux_bz(
@@ -853,12 +860,17 @@ def _groupwise_neutron_flux_bz(
     in such a way that doesn't trigger the re-calculation of integration_constants
     (which would've led to RecursionError if called within solve_group_n).
     """
-    exponentials = []
+    trig_funcs = []
     for g in range(n + 1):
-        l_bz = np.sqrt(abs(self.l_bz_2[g]))
-        exponentials.append(int_const.bz_pos[g] * np.exp(x_cm / l_bz))
-        exponentials.append(int_const.bz_neg[g] * np.exp(-x_cm / l_bz))
-    return np.sum(exponentials, axis=0)
+        l_bz_2 = self.l_bz_2[g]
+        if l_bz_2>0:
+            c, s = np.cosh, np.sinh
+        else:
+            c, s = np.cos, np.sin
+        l_bz = np.sqrt(abs(l_bz_2))
+        trig_funcs.append(int_const.bz_c[g] * c(x_cm / l_bz))
+        trig_funcs.append(int_const.bz_s[g] * s(x_cm / l_bz))
+    return np.sum(trig_funcs, axis=0)
 
 
 def _groupwise_integrated_flux_fw(
@@ -874,10 +886,10 @@ def _groupwise_integrated_flux_fw(
     for g in range(n + 1):
         l_fw = np.sqrt(abs(self.l_fw_2[g]))
         integrals.append(
-            l_fw * int_const.fw_pos[g] * expm1(self.x_fw_cm / l_fw)
+            l_fw * int_const.fw_c[g] * expm1(self.x_fw_cm / l_fw)
         )
         integrals.append(
-            -l_fw * int_const.fw_neg[g] * expm1(-self.x_fw_cm / l_fw)
+            -l_fw * int_const.fw_s[g] * expm1(-self.x_fw_cm / l_fw)
         )
     return np.sum(integrals, axis=0)
 
@@ -897,10 +909,10 @@ def _groupwise_integrated_flux_bz(
         bz_thick = (self.x_bz_cm - self.x_fw_cm) / l_bz
         fw_thick = self.x_fw_cm / l_bz
         integrals.append(
-            l_bz * int_const.bz_pos[g] * expm1(bz_thick) * np.exp(fw_thick)
+            l_bz * int_const.bz_c[g] * expm1(bz_thick) * np.exp(fw_thick)
         )
         integrals.append(
-            -l_bz * int_const.bz_neg[g] * expm1(-bz_thick) * np.exp(-fw_thick)
+            -l_bz * int_const.bz_s[g] * expm1(-bz_thick) * np.exp(-fw_thick)
         )
     return np.sum(integrals, axis=0)
 
@@ -926,10 +938,10 @@ def _groupwise_neutron_current_fw2bz(
         for g in range(n + 1):
             l_fw = np.sqrt(abs(self.l_fw_2[g]))
             differentials.append(
-                1 / l_fw * int_const.fw_pos[g] * np.exp(self.x_fw_cm / l_fw)
+                1 / l_fw * int_const.fw_c[g] * np.exp(self.x_fw_cm / l_fw)
             )
             differentials.append(
-                -1 / l_fw * int_const.fw_neg[g] * np.exp(-self.x_fw_cm / l_fw)
+                -1 / l_fw * int_const.fw_s[g] * np.exp(-self.x_fw_cm / l_fw)
             )
         return -self.d_fw_cm[n] * np.sum(differentials, axis=0)
 
@@ -937,10 +949,10 @@ def _groupwise_neutron_current_fw2bz(
     for g in range(n + 1):
         l_bz = np.sqrt(abs(self.l_bz_2[g]))
         differentials.append(
-            1 / l_bz * int_const.bz_pos[g] * np.exp(self.x_fw_cm / l_bz)
+            1 / l_bz * int_const.bz_c[g] * np.exp(self.x_fw_cm / l_bz)
         )
         differentials.append(
-            -1 / l_bz * int_const.bz_neg[g] * np.exp(-self.x_fw_cm / l_bz)
+            -1 / l_bz * int_const.bz_s[g] * np.exp(-self.x_fw_cm / l_bz)
         )
     return -self.d_bz_cm[n] * np.sum(differentials, axis=0)
 
@@ -964,10 +976,10 @@ def _groupwise_neutron_current_escaped(
     for g in range(n + 1):
         l_bz = np.sqrt(abs(self.l_bz_2[g]))
         differentials.append(
-            1 / l_bz * int_const.bz_pos[g] * np.exp(self.x_bz_cm / l_bz)
+            1 / l_bz * int_const.bz_c[g] * np.exp(self.x_bz_cm / l_bz)
         )
         differentials.append(
-            -1 / l_bz * int_const.bz_neg[g] * np.exp(-self.x_bz_cm / l_bz)
+            -1 / l_bz * int_const.bz_s[g] * np.exp(-self.x_bz_cm / l_bz)
         )
     return -self.d_bz_cm[n] * np.sum(differentials, axis=0)
 
diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 5fd6e9b1ab..72524d1b1c 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -11,20 +11,19 @@ def test_against_desmos_number():
     """
     dummy = [100, 1]  # dummy group structure
     # translate from mean-free-path lengths (mfp) to macroscopic cross-sections
-    # [m]
-    mfp_fw_s = 118 * 0.01
-    mfp_fw_t = 16.65 * 0.01
+    mfp_fw_s = 118 * 0.01  # [m]
+    mfp_fw_t = 16.65 * 0.01  # [m]
     sigma_fw_t = 1 / mfp_fw_t  # [1/m]
     sigma_fw_s = 1 / mfp_fw_s  # [1/m]
     a_fw = 52
-    fw_material = MaterialMacroInfo([sigma_fw_t], [[sigma_fw_s]], dummy, a_fw)
+    fw_material = MaterialMacroInfo(dummy, a_fw, [sigma_fw_t], [[sigma_fw_s]])
 
-    mfp_bz_s = 97 * 0.01
-    mfp_bz_t = 35.8 * 0.01
+    mfp_bz_s = 97 * 0.01  # [m]
+    mfp_bz_t = 35.8 * 0.01  # [m]
     sigma_bz_s = 1 / mfp_bz_s  # [1/m]
     sigma_bz_t = 1 / mfp_bz_t  # [1/m]
     a_bz = 71
-    bz_material = MaterialMacroInfo([sigma_bz_t], [[sigma_bz_s]], dummy, a_bz)
+    bz_material = MaterialMacroInfo(dummy, a_bz, [sigma_bz_t], [[sigma_bz_s]])
 
     x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
     incoming_flux = 41
@@ -33,10 +32,10 @@ def test_against_desmos_number():
     )
     
     const = neutron_profile.integration_constants[0]  # alias to fit line width
-    assert np.isclose(const.fw_pos, 1.98923249017), "c1"
-    assert np.isclose(const.fw_neg, 78.5454445887), "c2"
-    assert np.isclose(const.bz_pos, -0.0126020377605), "c3"
-    assert np.isclose(const.bz_neg, 60.6997676395), "c4"
+    assert np.isclose(const.fw_c, 80.5346770788), "c5"
+    assert np.isclose(const.fw_s, -76.5562120985), "c6"
+    assert np.isclose(const.bz_c, 60.6871656017), "c7"
+    assert np.isclose(const.bz_s, -60.7123696772), "c8"
 
     assert np.isclose(neutron_profile.neutron_flux_fw(x_fw), 48.72444)
     assert np.isclose(neutron_profile.neutron_flux_bz(x_fw), 48.72444)
@@ -51,4 +50,40 @@ def test_against_desmos_number():
         + neutron_profile.reaction_rate_bz("removal")
     )
 def test_one_group_with_fission():
-    """Expecting a cosine-shape (dome shape!) of neutron flux profile"""
+    """
+    Regression test against Desmos snapshot with fission involved:
+    https://www.desmos.com/calculator/cd830add9c
+    Expecting a cosine-shape (dome shape!) of neutron flux profile.
+    """
+    dummy = [100, 1]
+    mfp_fw_s = 118 * 0.01  # [m]
+    mfp_fw_t = 16.65 * 0.01  # [m]
+    sigma_fw_t = 1 / mfp_fw_t  # [1/m]
+    sigma_fw_s = 1 / mfp_fw_s  # [1/m]
+    a_fw = 52
+    fw_material = MaterialMacroInfo(dummy, a_fw, [sigma_fw_t], [[sigma_fw_s]])
+
+    mfp_bz_s = 97 * 0.01  # [m]
+    mfp_bz_t = 35.8 * 0.01  # [m]
+    sigma_bz_s = 1 / mfp_bz_s  # [1/m]
+    sigma_bz_t = 1 / mfp_bz_t  # [1/m]
+    a_bz = 71
+
+    g = 1.2
+    nu_sigma_bz_f = g * (sigma_bz_t - sigma_bz_s)
+    bz_material = MaterialMacroInfo(dummy, a_bz, [sigma_bz_t], [[sigma_bz_s]], [[nu_sigma_bz_f]])
+
+    x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
+    incoming_flux = 41
+    neutron_profile = NeutronFluxProfile(
+        incoming_flux, x_fw, x_bz, fw_material, bz_material
+    )
+    assert np.isclose(neutron_profile.l_bz_2[0], -58.2869567709**2)
+    neutron_profile.plot()
+    import matplotlib.pyplot as plt
+    plt.show()
+    assert np.isclose(neutron_profile.neutron_flux_at(18.96382/100), 164.81245)
+
+def test_two_groups():
+    """4"""
+

From 0b49790f5fa3d4795f53d871cc26ea0f0ba9db9c Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 12 Nov 2025 03:08:34 +0000
Subject: [PATCH 53/98] Conversion from exponential basis to
 ((cosh/sinh)/(cos/sin)) bases complete.

---
 process/neutronics.py | 135 ++++++++++++++++++++++++++++--------------
 1 file changed, 92 insertions(+), 43 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 6ea343bfaf..a68708341d 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -12,7 +12,6 @@
 from matplotlib import pyplot as plt
 from numpy import typing as npt
 from scipy import optimize
-from scipy.special import expm1
 
 from process.exceptions import ProcessValidationError, ProcessValueError
 from process.neutronics_data import MaterialMacroInfo
@@ -838,12 +837,12 @@ def _groupwise_neutron_flux_fw(
     """
     trig_funcs = []
     for g in range(n + 1):
-        l_fw_2 = self.l_fw_2[g]
-        if l_fw_2>0:
+        if self.l_fw_2[g]>0:
             c, s = np.cosh, np.sinh
+            l_fw = np.sqrt(self.l_fw_2[g])
         else:
             c, s = np.cos, np.sin
-        l_fw = np.sqrt(abs(l_fw_2))
+            l_fw = np.sqrt(-self.l_fw_2[g])
         trig_funcs.append(int_const.fw_c[g] * c(x_cm / l_fw))
         trig_funcs.append(int_const.fw_s[g] * s(x_cm / l_fw))
     return np.sum(trig_funcs, axis=0)
@@ -862,12 +861,12 @@ def _groupwise_neutron_flux_bz(
     """
     trig_funcs = []
     for g in range(n + 1):
-        l_bz_2 = self.l_bz_2[g]
-        if l_bz_2>0:
+        if self.l_bz_2[g]>0:
             c, s = np.cosh, np.sinh
+            l_bz = np.sqrt(self.l_bz_2[g])
         else:
             c, s = np.cos, np.sin
-        l_bz = np.sqrt(abs(l_bz_2))
+            l_bz = np.sqrt(-self.l_bz_2[g])
         trig_funcs.append(int_const.bz_c[g] * c(x_cm / l_bz))
         trig_funcs.append(int_const.bz_s[g] * s(x_cm / l_bz))
     return np.sum(trig_funcs, axis=0)
@@ -884,13 +883,23 @@ def _groupwise_integrated_flux_fw(
 
     integrals = []
     for g in range(n + 1):
-        l_fw = np.sqrt(abs(self.l_fw_2[g]))
-        integrals.append(
-            l_fw * int_const.fw_c[g] * expm1(self.x_fw_cm / l_fw)
-        )
-        integrals.append(
-            -l_fw * int_const.fw_s[g] * expm1(-self.x_fw_cm / l_fw)
-        )
+        if self.l_fw_2[g]>0:
+            l_fw = np.sqrt(self.l_fw_2[g])
+            integrals.append(
+                l_fw * int_const.fw_c[g] * np.sinh(self.x_fw_cm / l_fw)
+            )
+            integrals.append(
+                l_fw * int_const.fw_s[g] * (np.cosh(self.x_fw_cm / l_fw) - 1)
+            )
+        else:
+            l_fw = np.sqrt(-self.l_fw_2[g])
+            integrals.append(
+                l_fw * int_const.fw_c[g] * np.sin(self.x_fw_cm / l_fw)
+            )
+            integrals.append(
+                l_fw * int_const.fw_s[g] * (1 - np.cos(self.x_fw_cm / l_fw))
+            )
+
     return np.sum(integrals, axis=0)
 
 
@@ -905,15 +914,26 @@ def _groupwise_integrated_flux_bz(
 
     integrals = []
     for g in range(n + 1):
-        l_bz = np.sqrt(abs(self.l_bz_2[g]))
-        bz_thick = (self.x_bz_cm - self.x_fw_cm) / l_bz
-        fw_thick = self.x_fw_cm / l_bz
-        integrals.append(
-            l_bz * int_const.bz_c[g] * expm1(bz_thick) * np.exp(fw_thick)
-        )
-        integrals.append(
-            -l_bz * int_const.bz_s[g] * expm1(-bz_thick) * np.exp(-fw_thick)
-        )
+        if self.l_bz_2[g]>0:
+            l_bz = np.sqrt(self.l_bz_2[g])
+            integrals.append(
+                l_bz * int_const.bz_c[g] *
+                (np.sinh(self.x_bz_cm / l_bz) - np.sinh(self.x_fw_cm / l_bz))
+            )
+            integrals.append(
+                l_bz * int_const.bz_s[g] *
+                (np.cosh(self.x_bz_cm / l_bz) - np.cosh(self.x_fw_cm / l_bz))
+            )
+        else:
+            l_bz = np.sqrt(-self.l_bz_2[g])
+            integrals.append(
+                l_bz * int_const.bz_c[g] *
+                (np.sin(self.x_bz_cm / l_bz) - np.sin(self.x_fw_cm / l_bz))
+            )
+            integrals.append(
+                -l_bz * int_const.bz_s[g] *
+                (np.cos(self.x_bz_cm / l_bz) - np.cos(self.x_fw_cm / l_bz))
+            )
     return np.sum(integrals, axis=0)
 
 
@@ -936,24 +956,44 @@ def _groupwise_neutron_current_fw2bz(
     differentials = []
     if alt_implementation:
         for g in range(n + 1):
-            l_fw = np.sqrt(abs(self.l_fw_2[g]))
+            if self.l_fw_2[g]>0:
+                l_fw = np.sqrt(self.l_fw_2[g])
+                differentials.append(
+                    int_const.fw_c[g] / l_fw * np.sinh(self.x_fw_cm / l_fw)
+                )
+                differentials.append(
+                    int_const.fw_s[g] / l_fw * np.cosh(self.x_fw_cm / l_fw)
+                )
+            else:
+                l_fw = np.sqrt(-self.l_fw_2[g])
+                differentials.append(
+                    - int_const.fw_c[g] / l_fw * np.sin(self.x_fw_cm / l_fw)
+                )
+                differentials.append(
+                    int_const.fw_s[g] / l_fw * np.cos(self.x_fw_cm / l_fw)
+                )
+
+        return -self.d_fw_cm[n] * np.sum(differentials, axis=0)
+
+    # equivalent definition below: (should yield the same answer once converged)
+    for g in range(n + 1):
+        if self.l_bz_2[g]>0:
+            l_bz = np.sqrt(self.l_bz_2[g])
             differentials.append(
-                1 / l_fw * int_const.fw_c[g] * np.exp(self.x_fw_cm / l_fw)
+                int_const.bz_c[g] / l_bz * np.sinh(self.x_fw_cm / l_bz)
             )
             differentials.append(
-                -1 / l_fw * int_const.fw_s[g] * np.exp(-self.x_fw_cm / l_fw)
+                int_const.bz_s[g] / l_bz * np.cosh(self.x_fw_cm / l_bz)
+            )
+        else:
+            l_bz = np.sqrt(-self.l_bz_2[g])
+            differentials.append(
+                - int_const.bz_c[g] / l_bz * np.sin(self.x_fw_cm / l_bz)
+            )
+            differentials.append(
+                int_const.bz_s[g] / l_bz * np.cos(self.x_fw_cm / l_bz)
             )
-        return -self.d_fw_cm[n] * np.sum(differentials, axis=0)
 
-    # equivalent definition below: (should yield the same answer once converged)
-    for g in range(n + 1):
-        l_bz = np.sqrt(abs(self.l_bz_2[g]))
-        differentials.append(
-            1 / l_bz * int_const.bz_c[g] * np.exp(self.x_fw_cm / l_bz)
-        )
-        differentials.append(
-            -1 / l_bz * int_const.bz_s[g] * np.exp(-self.x_fw_cm / l_bz)
-        )
     return -self.d_bz_cm[n] * np.sum(differentials, axis=0)
 
 
@@ -974,13 +1014,22 @@ def _groupwise_neutron_current_escaped(
     """
     differentials = []
     for g in range(n + 1):
-        l_bz = np.sqrt(abs(self.l_bz_2[g]))
-        differentials.append(
-            1 / l_bz * int_const.bz_c[g] * np.exp(self.x_bz_cm / l_bz)
-        )
-        differentials.append(
-            -1 / l_bz * int_const.bz_s[g] * np.exp(-self.x_bz_cm / l_bz)
-        )
+        if self.l_bz_2[g]>0:
+            l_bz = np.sqrt(self.l_bz_2[g])
+            differentials.append(
+                int_const.bz_c[g] / l_bz * np.sinh(self.x_bz_cm / l_bz)
+            )
+            differentials.append(
+                int_const.bz_s[g] / l_bz * np.cosh(self.x_bz_cm / l_bz)
+            )
+        else:
+            l_bz = np.sqrt(-self.l_bz_2[g])
+            differentials.append(
+                - int_const.bz_c[g] / l_bz * np.sin(self.x_bz_cm / l_bz)
+            )
+            differentials.append(
+                int_const.bz_s[g] / l_bz * np.cos(self.x_bz_cm / l_bz)
+            )
     return -self.d_bz_cm[n] * np.sum(differentials, axis=0)
 
 

From 42ea1dfd024b5a9e066fc10975a797b1e9eeb34e Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 12 Nov 2025 04:03:15 +0000
Subject: [PATCH 54/98] Fixed where the abs() are placed for taking the
 absolute value of x

---
 process/neutronics.py | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index a68708341d..c50cb4a75e 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -559,7 +559,7 @@ def groupwise_neutron_flux_fw(
         flux:
             Neutron flux at x meter from the first wall.
         """
-        x_cm = abs(x * 100)
+        x_cm = x * 100
 
         return _groupwise_neutron_flux_fw(
             self.integration_constants[n],
@@ -591,7 +591,7 @@ def groupwise_neutron_flux_bz(
         flux:
             Neutron flux at x meter from the first wall.
         """
-        x_cm = abs(x * 100)
+        x_cm = x * 100
 
         return _groupwise_neutron_flux_bz(
             self.integration_constants[n],
@@ -843,8 +843,8 @@ def _groupwise_neutron_flux_fw(
         else:
             c, s = np.cos, np.sin
             l_fw = np.sqrt(-self.l_fw_2[g])
-        trig_funcs.append(int_const.fw_c[g] * c(x_cm / l_fw))
-        trig_funcs.append(int_const.fw_s[g] * s(x_cm / l_fw))
+        trig_funcs.append(int_const.fw_c[g] * c(abs(x_cm) / l_fw))
+        trig_funcs.append(int_const.fw_s[g] * s(abs(x_cm) / l_fw))
     return np.sum(trig_funcs, axis=0)
 
 
@@ -867,8 +867,8 @@ def _groupwise_neutron_flux_bz(
         else:
             c, s = np.cos, np.sin
             l_bz = np.sqrt(-self.l_bz_2[g])
-        trig_funcs.append(int_const.bz_c[g] * c(x_cm / l_bz))
-        trig_funcs.append(int_const.bz_s[g] * s(x_cm / l_bz))
+        trig_funcs.append(int_const.bz_c[g] * c(abs(x_cm) / l_bz))
+        trig_funcs.append(int_const.bz_s[g] * s(abs(x_cm) / l_bz))
     return np.sum(trig_funcs, axis=0)
 
 

From b68db420e7f5f43428f2adf1de7346bdf7456f97 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 12 Nov 2025 04:04:18 +0000
Subject: [PATCH 55/98] renamed the integration constants' working names to
 something a little more meaningful.

---
 process/neutronics.py | 20 ++++++++++----------
 1 file changed, 10 insertions(+), 10 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index c50cb4a75e..c8f20cc473 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -360,27 +360,27 @@ def solve_lowest_group(self) -> None:
             s_bz_mod = np.sin((self.extended_boundary_cm[n] - x_fw) / l_bz)
             t_bz_mod = np.tan((self.extended_boundary_cm[n] - x_fw) / l_bz)
 
-        c5 = - self.flux * (
+        fw_c_factor = - self.flux * (
             l_fw / d_fw 
             - np.exp(x_fw / l_fw) * (
-                    (l_fw / d_fw) + (l_bz / d_bz) * t_bz_mod
-                )/(
-                    c_fw + s_fw * t_bz_mod * (d_fw / l_fw) * (l_bz / d_bz)
-                )
+                (l_fw / d_fw) + (l_bz / d_bz) * t_bz_mod
+            )/(
+                c_fw + s_fw * t_bz_mod * (d_fw / l_fw) * (l_bz / d_bz)
             )
-        c6 = - self.flux * l_fw / d_fw
+        )
+        fw_s_factor = - self.flux * l_fw / d_fw
 
-        c7_c8_common_factor = (
+        bz_common_factor = (
             self.flux
             * np.exp(x_fw / l_fw)
             * (1 - t_fw)
             / ((d_bz / l_bz) * c_bz_mod + (d_fw / l_fw) * t_fw * s_bz_mod)
         )
-        c7 = c7_c8_common_factor * s_bz
-        c8 = -c7_c8_common_factor * c_bz
+        bz_c_factor = bz_common_factor * s_bz
+        bz_s_factor = -bz_common_factor * c_bz
 
         self.integration_constants[n] = IntegrationConstants(
-            [c5], [c6], [c7], [c8]
+            [fw_c_factor], [fw_s_factor], [bz_c_factor], [bz_s_factor]
         )
         return
 

From d8d5b9821c525881ead1462ed9df60db713c1987 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 12 Nov 2025 19:21:40 +0000
Subject: [PATCH 56/98] One more regression test for now.

---
 tests/regression/test_neutronics.py | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 72524d1b1c..14a05e5c08 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -4,7 +4,7 @@
 from process.neutronics import NeutronFluxProfile
 from process.neutronics_data import MaterialMacroInfo
 
-def test_against_desmos_number():
+def test_one_group():
     """
     Regression test against Desmos snapshot:
     https://www.desmos.com/calculator/18xojespuo
@@ -79,11 +79,11 @@ def test_one_group_with_fission():
         incoming_flux, x_fw, x_bz, fw_material, bz_material
     )
     assert np.isclose(neutron_profile.l_bz_2[0], -58.2869567709**2)
-    neutron_profile.plot()
-    import matplotlib.pyplot as plt
-    plt.show()
-    assert np.isclose(neutron_profile.neutron_flux_at(18.96382/100), 164.81245)
+    assert np.isclose(neutron_profile.neutron_flux_at(18.96382/100), 164.81245), "Maximum flux in BZ"
+    assert np.isclose(neutron_profile.neutron_flux_fw(x_fw), neutron_profile.neutron_flux_bz(x_fw)), "Flux continuity assurance"
 
 def test_two_groups():
-    """4"""
-
+    """
+    Same group n=0 values as test_one_group. Second group can have a massive removal cross-section 
+    """
+    

From 3627fad22142876cbe1c9c194815f4e565505e1e Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 12 Nov 2025 19:22:21 +0000
Subject: [PATCH 57/98] Beginning removal of the _groupwise functions (because
 they don't need to be separated out like that)

---
 process/neutronics.py | 18 ++++++++----------
 1 file changed, 8 insertions(+), 10 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index c8f20cc473..c8c200f1ca 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -432,7 +432,6 @@ def solve_group_n(self, n: int) -> None:
         # Setting up aliases for shorter code
         l_fw_2, l_bz_2 = self.l_fw_2[n], self.l_bz_2[n]
         d_fw, d_bz = self.d_fw_cm[n], self.d_bz_cm[n]
-        ic = self.integration_constants
         src_fw = self.fw_mat.sigma_s_cm + self.fw_mat.sigma_in_cm
         src_bz = self.bz_mat.sigma_s_cm + self.bz_mat.sigma_in_cm
 
@@ -451,19 +450,19 @@ def solve_group_n(self, n: int) -> None:
             else:
                 scale_factor_bz = (l_bz_2 * self.l_bz_2[g]) / d_bz / diff_bz
             _ic_n.fw_c.append(
-                sum(src_fw[i, n] * ic[i].fw_c[g] for i in range(g, n))
+                sum(src_fw[i, n] * self.integration_constants[i].fw_c[g] for i in range(g, n))
                 * scale_factor_fw
             )
             _ic_n.fw_s.append(
-                sum(src_fw[i, n] * ic[i].fw_s[g] for i in range(g, n))
+                sum(src_fw[i, n] * self.integration_constants[i].fw_s[g] for i in range(g, n))
                 * scale_factor_fw
             )
             _ic_n.bz_c.append(
-                sum(src_bz[i, n] * ic[i].bz_c[g] for i in range(g, n))
+                sum(src_bz[i, n] * self.integration_constants[i].bz_c[g] for i in range(g, n))
                 * scale_factor_bz
             )
             _ic_n.bz_s.append(
-                sum(src_bz[i, n] * ic[i].bz_s[g] for i in range(g, n))
+                sum(src_bz[i, n] * self.integration_constants[i].bz_s[g] for i in range(g, n))
                 * scale_factor_bz
             )
 
@@ -474,11 +473,10 @@ def solve_group_n(self, n: int) -> None:
         _ic_n.bz_s.append(c4)
 
         def set_constants(input_vector: Iterable[float]):
-            c1, c2, c3, c4 = input_vector
-            _ic_n.fw_c[n] = c1
-            _ic_n.fw_s[n] = c2
-            _ic_n.bz_c[n] = c3
-            _ic_n.bz_s[n] = c4
+            _ic_n.fw_c[n] = input_vector[0]
+            _ic_n.fw_s[n] = input_vector[1]
+            _ic_n.bz_c[n] = input_vector[2]
+            _ic_n.bz_s[n] = input_vector[3]
 
         def evaluate_fit():
             flux_continuity = _groupwise_neutron_flux_fw(

From 958192e146f430c20fe5094e49fa759fc2b467f2 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 12 Nov 2025 20:14:55 +0000
Subject: [PATCH 58/98] Minor change to the solve_n_group method to prep it for
 future (iterative) solver.

---
 process/neutronics.py | 137 +++++++++++++++++++-----------------------
 1 file changed, 62 insertions(+), 75 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index c8c200f1ca..fb9609cff0 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -413,6 +413,10 @@ def solve_group_n(self, n: int) -> None:
             )
         if n in self.integration_constants:
             return None  # skip if it has already been solved.
+        else:
+            # Parameter to be changed later, to allow solving non-down-scatter
+            # only systems by iterating.
+            first_iteration = True 
         self.d_fw_cm[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
             self.fw_mat.avg_atomic_mass,
             self.fw_mat.sigma_t_cm[n],
@@ -435,7 +439,7 @@ def solve_group_n(self, n: int) -> None:
         src_fw = self.fw_mat.sigma_s_cm + self.fw_mat.sigma_in_cm
         src_bz = self.bz_mat.sigma_s_cm + self.bz_mat.sigma_in_cm
 
-        _ic_n = IntegrationConstants([], [], [], [])
+        self.integration_constants[n] = IntegrationConstants([], [], [], [])
         for g in range(n):
             # if the characteristic length of group [g] coincides with the
             # characteristic length of group [n], then that particular
@@ -449,69 +453,64 @@ def solve_group_n(self, n: int) -> None:
                 scale_factor_bz = 0.0
             else:
                 scale_factor_bz = (l_bz_2 * self.l_bz_2[g]) / d_bz / diff_bz
-            _ic_n.fw_c.append(
+            self.integration_constants[n].fw_c.append(
                 sum(src_fw[i, n] * self.integration_constants[i].fw_c[g] for i in range(g, n))
                 * scale_factor_fw
             )
-            _ic_n.fw_s.append(
+            self.integration_constants[n].fw_s.append(
                 sum(src_fw[i, n] * self.integration_constants[i].fw_s[g] for i in range(g, n))
                 * scale_factor_fw
             )
-            _ic_n.bz_c.append(
+            self.integration_constants[n].bz_c.append(
                 sum(src_bz[i, n] * self.integration_constants[i].bz_c[g] for i in range(g, n))
                 * scale_factor_bz
             )
-            _ic_n.bz_s.append(
+            self.integration_constants[n].bz_s.append(
                 sum(src_bz[i, n] * self.integration_constants[i].bz_s[g] for i in range(g, n))
                 * scale_factor_bz
             )
 
-        c1, c2, c3, c4 = 0.0, 0.0, 0.0, 0.0
-        _ic_n.fw_c.append(c1)
-        _ic_n.fw_s.append(c2)
-        _ic_n.bz_c.append(c3)
-        _ic_n.bz_s.append(c4)
+        fw_c_factor_guess = 0.0
+        fw_s_factor_guess = 0.0
+        bz_c_factor_guess = 0.0
+        bz_s_factor_guess = 0.0
+        self.integration_constants[n].fw_c.append(fw_c_factor_guess)
+        self.integration_constants[n].fw_s.append(fw_s_factor_guess)
+        self.integration_constants[n].bz_c.append(bz_c_factor_guess)
+        self.integration_constants[n].bz_s.append(bz_s_factor_guess)
 
-        def set_constants(input_vector: Iterable[float]):
+        def _set_constants(input_vector: Iterable[float]):
             _ic_n.fw_c[n] = input_vector[0]
             _ic_n.fw_s[n] = input_vector[1]
             _ic_n.bz_c[n] = input_vector[2]
             _ic_n.bz_s[n] = input_vector[3]
 
-        def evaluate_fit():
-            flux_continuity = _groupwise_neutron_flux_fw(
-                _ic_n, self, n, self.x_fw_cm
-            ) - _groupwise_neutron_flux_bz(_ic_n, self, n, self.x_fw_cm)
-            flux_at_boundary = _groupwise_neutron_flux_bz(
-                _ic_n, self, n, self.extended_boundary_cm[n]
-            )
+        def _evaluate_fit():
+            flux_continuity = self.groupwise_neutron_flux_fw(n, self.x_fw_cm) - self.groupwise_neutron_flux_bz(n, self.x_fw_cm)
+            flux_at_boundary = self.groupwise_neutron_flux_bz(n, self.extended_boundary_cm[n])
             current_continuity = _groupwise_neutron_current_fw2bz(
                 _ic_n, self, n, True
             ) - _groupwise_neutron_current_fw2bz(_ic_n, self, n, False)
             influx_fw, influx_bz = 0.0, 0.0
-            for g in range(n):
-                influx_fw += self.fw_mat.sigma_s_cm[
-                    g, n
-                ] * _groupwise_integrated_flux_fw(
-                    self.integration_constants[g], self, g
-                )
-                influx_bz += self.bz_mat.sigma_s_cm[
-                    g, n
-                ] * _groupwise_integrated_flux_bz(
-                    self.integration_constants[g], self, g
-                )
-            removal_fw = (
-                self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n].sum()
-            ) * _groupwise_neutron_flux_fw(_ic_n, self, n)
-            removal_bz = (
-                self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n].sum()
-            ) * _groupwise_neutron_flux_bz(_ic_n, self, n)
-            neutron_conservation = (
+            for g in range(self.n_groups):
+                if g>n and not first_iteration:
+                    if not self.fw_mat.downscatter_only:
+                        influx_fw += (self.fw_mat.sigma_s_cm[g, n] + self.fw_mat.sigma_in_cm[g, n]) * self.groupwise_integrated_flux_fw(g)
+                    if not self.bz_mat.downscatter_only:
+                        influx_bz += (self.bz_mat.sigma_s_cm[g, n] + self.bz_mat.sigma_in_cm[g, n]) * self.groupwise_integrated_flux_bz(g)
+                elif g<=n:
+                    influx_fw += (self.fw_mat.sigma_s_cm[g, n] + self.fw_mat.sigma_in_cm[g, n]) * self.groupwise_integrated_flux_fw(g)
+                    influx_bz += (self.bz_mat.sigma_s_cm[g, n] + self.bz_mat.sigma_in_cm[g, n]) * self.groupwise_integrated_flux_bz(g)
+            removal_fw = self.fw_mat.sigma_t_cm[n] * self.groupwise_integrated_flux_fw(n)
+            removal_bz = self.bz_mat.sigma_t_cm[n] * self.groupwise_integrated_flux_bz(n)
+            # conservation_fw = influx_fw - removal_fw - current_fw2bz
+            # conservation_bz = current_fw2bz + influx_bz - removal_bz - escaped_bz
+            total_neutron_conservation = (
                 influx_fw
                 + influx_bz
                 - removal_fw
                 - removal_bz
-                - _groupwise_neutron_current_escaped(_ic_n, self, n)
+                - self.groupwise_neutron_current_escaped(_ic_n, self, n)
             )
             # in fact, we can separate the last condition (neutron conservation)
             # into two regions: fw and bz
@@ -522,15 +521,20 @@ def evaluate_fit():
                 flux_continuity,
                 flux_at_boundary,
                 current_continuity,
-                neutron_conservation,
+                total_neutron_conservation,
             ])
 
         def objective(four_integration_constants_vector):
-            set_constants(four_integration_constants_vector)
-            return evaluate_fit()
-
-        optimize.root(set_constants, x0=[c1, c2, c3, c4])
-        self.integration_constants[n] = _ic_n
+            _set_constants(four_integration_constants_vector)
+            return _evaluate_fit()
+
+        results = optimize.root(objective, x0=[
+            fw_c_factor_guess,
+            fw_s_factor_guess,
+            bz_c_factor_guess,
+            bz_s_factor_guess,
+        ])
+        _set_constants(results.res)
         return None
 
     @summarize_values
@@ -559,12 +563,17 @@ def groupwise_neutron_flux_fw(
         """
         x_cm = x * 100
 
-        return _groupwise_neutron_flux_fw(
-            self.integration_constants[n],
-            self,
-            n,
-            x_cm,
-        )
+        trig_funcs = []
+        for g in range(n + 1):
+            if self.l_fw_2[g]>0:
+                c, s = np.cosh, np.sinh
+                l_fw = np.sqrt(self.l_fw_2[g])
+            else:
+                c, s = np.cos, np.sin
+                l_fw = np.sqrt(-self.l_fw_2[g])
+            trig_funcs.append(self.integration_constants.fw_c[g] * c(abs(x_cm) / l_fw))
+            trig_funcs.append(self.integration_constants.fw_s[g] * s(abs(x_cm) / l_fw))
+        return np.sum(trig_funcs, axis=0)
 
     @summarize_values
     def groupwise_neutron_flux_bz(
@@ -650,11 +659,11 @@ def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
             Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         reaction_type:
-            string of either {"total","removal"}.
+            string of either {"total", "removal"}.
 
         """
         if reaction_type == "removal":
-            sigma = self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n].sum()
+            sigma = self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n, n]
         elif reaction_type == "total":
             sigma = self.fw_mat.sigma_t_cm[n]
         else:
@@ -677,11 +686,11 @@ def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
             Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
         reaction_type:
-            string of either {"total","removal"}.
+            string of either {"total", "removal"}.
 
         """
         if reaction_type == "removal":
-            sigma = self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n].sum()
+            sigma = self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n, n]
         elif reaction_type == "total":
             sigma = self.bz_mat.sigma_t_cm[n]
         else:
@@ -822,28 +831,6 @@ def plot(
         return ax
 
 
-def _groupwise_neutron_flux_fw(
-    int_const: IntegrationConstants,
-    self: NeutronFluxProfile,
-    n: int,
-    x_cm: float | npt.NDArray,
-) -> npt.NDArray:
-    """
-    Calculate groupwise_neutron_flux_fw for NeutronFluxProfile, but
-    in such a way that doesn't trigger the re-calculation of integration_constants
-    (which would've led to RecursionError if called within solve_group_n).
-    """
-    trig_funcs = []
-    for g in range(n + 1):
-        if self.l_fw_2[g]>0:
-            c, s = np.cosh, np.sinh
-            l_fw = np.sqrt(self.l_fw_2[g])
-        else:
-            c, s = np.cos, np.sin
-            l_fw = np.sqrt(-self.l_fw_2[g])
-        trig_funcs.append(int_const.fw_c[g] * c(abs(x_cm) / l_fw))
-        trig_funcs.append(int_const.fw_s[g] * s(abs(x_cm) / l_fw))
-    return np.sum(trig_funcs, axis=0)
 
 
 def _groupwise_neutron_flux_bz(

From c5323e7d6cd7ea93808399d5b4a2e1aebc3505e7 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 12 Nov 2025 20:50:50 +0000
Subject: [PATCH 59/98] Completed removal of the _groupwise functions.

---
 process/neutronics.py               | 420 +++++++++++-----------------
 process/neutronics_data.py          |   1 +
 tests/regression/test_neutronics.py |  10 +-
 tests/unit/test_neutronics.py       |  10 +-
 4 files changed, 177 insertions(+), 264 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index fb9609cff0..d4956ae39b 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -486,11 +486,9 @@ def _set_constants(input_vector: Iterable[float]):
             _ic_n.bz_s[n] = input_vector[3]
 
         def _evaluate_fit():
-            flux_continuity = self.groupwise_neutron_flux_fw(n, self.x_fw_cm) - self.groupwise_neutron_flux_bz(n, self.x_fw_cm)
+            flux_continuity = self.groupwise_neutron_flux_fw(n, self.x_fw_cm/100) - self.groupwise_neutron_flux_bz(n, self.x_fw_cm/100)
             flux_at_boundary = self.groupwise_neutron_flux_bz(n, self.extended_boundary_cm[n])
-            current_continuity = _groupwise_neutron_current_fw2bz(
-                _ic_n, self, n, True
-            ) - _groupwise_neutron_current_fw2bz(_ic_n, self, n, False)
+            current_continuity = self.groupwise_neutron_current_fw(n, self.x_fw_cm/100) - self.groupwise_neutron_current_bz(n, self.x_fw_cm/100)
             influx_fw, influx_bz = 0.0, 0.0
             for g in range(self.n_groups):
                 if g>n and not first_iteration:
@@ -502,7 +500,7 @@ def _evaluate_fit():
                     influx_fw += (self.fw_mat.sigma_s_cm[g, n] + self.fw_mat.sigma_in_cm[g, n]) * self.groupwise_integrated_flux_fw(g)
                     influx_bz += (self.bz_mat.sigma_s_cm[g, n] + self.bz_mat.sigma_in_cm[g, n]) * self.groupwise_integrated_flux_bz(g)
             removal_fw = self.fw_mat.sigma_t_cm[n] * self.groupwise_integrated_flux_fw(n)
-            removal_bz = self.bz_mat.sigma_t_cm[n] * self.groupwise_integrated_flux_bz(n)
+            removal_bz = self.bz_mat.szsigma_t_cm[n] * self.groupwise_integrated_flux_bz(n)
             # conservation_fw = influx_fw - removal_fw - current_fw2bz
             # conservation_bz = current_fw2bz + influx_bz - removal_bz - escaped_bz
             total_neutron_conservation = (
@@ -512,11 +510,6 @@ def _evaluate_fit():
                 - removal_bz
                 - self.groupwise_neutron_current_escaped(_ic_n, self, n)
             )
-            # in fact, we can separate the last condition (neutron conservation)
-            # into two regions: fw and bz
-            # which gives:
-            # conservation_fw = influx_fw - removal_fw - _groupwise_neutron_current_fw2bz(_ic_n, self, n, True)
-            # conservation_bz = influx_bz - removal_bz - _groupwise_neutron_current_fw2bz(_ic_n, self, n, False) - _groupwise_neutron_current_escaped(_ic_n, self, n)
             return np.array([
                 flux_continuity,
                 flux_at_boundary,
@@ -548,7 +541,7 @@ def groupwise_neutron_flux_fw(
         ----------
         n:
             The index of the neutron group whose flux is being evaluated. n <= n_groups - 1.
-            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
+            Therefore n=0 shows the flux for group 1, n=1 for group 2, etc.
         x:
             The position where the neutron flux has to be evaluated.
             Note that this function does not enforce a check for x=inside the first-wall,
@@ -571,8 +564,8 @@ def groupwise_neutron_flux_fw(
             else:
                 c, s = np.cos, np.sin
                 l_fw = np.sqrt(-self.l_fw_2[g])
-            trig_funcs.append(self.integration_constants.fw_c[g] * c(abs(x_cm) / l_fw))
-            trig_funcs.append(self.integration_constants.fw_s[g] * s(abs(x_cm) / l_fw))
+            trig_funcs.append(self.integration_constants[n].fw_c[g] * c(abs(x_cm) / l_fw))
+            trig_funcs.append(self.integration_constants[n].fw_s[g] * s(abs(x_cm) / l_fw))
         return np.sum(trig_funcs, axis=0)
 
     @summarize_values
@@ -585,7 +578,7 @@ def groupwise_neutron_flux_bz(
         ----------
         n:
             The index of the neutron group whose flux is being evaluated. n <= n_groups - 1.
-            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
+            Therefore n=0 shows the flux for group 1, n=1 for group 2, etc.
         x:
             The position where the neutron flux has to be evaluated. [m]
             Note that this function does not enforce a check for x=inside the blanket,
@@ -600,12 +593,17 @@ def groupwise_neutron_flux_bz(
         """
         x_cm = x * 100
 
-        return _groupwise_neutron_flux_bz(
-            self.integration_constants[n],
-            self,
-            n,
-            x_cm,
-        )
+        trig_funcs = []
+        for g in range(n + 1):
+            if self.l_bz_2[g]>0:
+                c, s = np.cosh, np.sinh
+                l_bz = np.sqrt(self.l_bz_2[g])
+            else:
+                c, s = np.cos, np.sin
+                l_bz = np.sqrt(-self.l_bz_2[g])
+            trig_funcs.append(self.integration_constants[n].bz_c[g] * c(abs(x_cm) / l_bz))
+            trig_funcs.append(self.integration_constants[n].bz_s[g] * s(abs(x_cm) / l_bz))
+        return np.sum(trig_funcs, axis=0)
 
     @summarize_values
     def groupwise_neutron_flux_at(
@@ -613,13 +611,13 @@ def groupwise_neutron_flux_at(
     ) -> npt.NDArray:
         """
         Neutron flux [cm^-2 s^-1] anywhere within the valid range of x,
-        i.e. from -self.x_bz_cm to self.x_bz_cm.
+        i.e. [-self.extended_boundary_cm[n], self.extended_boundary_cm[n]].
 
         Parameters
         ----------
         n:
             Neutron group index. n <= n_groups - 1.
-            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
+            Therefore n=0 shows the flux for group 1, n=1 for group 2, etc.
         x:
             The depth where we want the neutron flux [m].
             Valid only between x= -extended boundary to +-extended boundary of that group
@@ -650,59 +648,164 @@ def groupwise_neutron_flux_at(
 
     # scalar values (one such float per neutron group.)
     @summarize_values
-    def groupwise_reaction_rate_fw(self, n: int, reaction_type: str) -> float:
-        """Calculate the reaction rate [s^-1] in the first wall.
+    def groupwise_integrated_flux_fw(self, n: int) -> float:
+        """
+        Calculate the integrated flux[cm s^-1], which can be mulitplied to any
+        macroscopic cross-section [cm^-1] to get the reaction rate [s^-1] in
+        the first wall.
 
         Parameters
         ----------
         n:
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
-            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
-        reaction_type:
-            string of either {"total", "removal"}.
-
+            Therefore n=0 shows the integrated flux for group 1, n=1 for group 2, etc.
         """
-        if reaction_type == "removal":
-            sigma = self.fw_mat.sigma_t_cm[n] - self.fw_mat.sigma_s_cm[n, n]
-        elif reaction_type == "total":
-            sigma = self.fw_mat.sigma_t_cm[n]
-        else:
-            raise NotImplementedError(
-                f"Not yet implemented the reaction type {reaction_type}"
-            )
-        return sigma * _groupwise_integrated_flux_fw(
-            self.integration_constants[n],
-            self,
-            n,
-        )
+        integrals = []
+        for g in range(n + 1):
+            if self.l_fw_2[g]>0:
+                l_fw = np.sqrt(self.l_fw_2[g])
+                integrals.append(
+                    l_fw * self.integration_constants[n].fw_c[g] * np.sinh(self.x_fw_cm / l_fw)
+                )
+                integrals.append(
+                    l_fw * self.integration_constants[n].fw_s[g] * (np.cosh(self.x_fw_cm / l_fw) - 1)
+                )
+            else:
+                l_fw = np.sqrt(-self.l_fw_2[g])
+                integrals.append(
+                    l_fw * self.integration_constants[n].fw_c[g] * np.sin(self.x_fw_cm / l_fw)
+                )
+                integrals.append(
+                    l_fw * self.integration_constants[n].fw_s[g] * (1 - np.cos(self.x_fw_cm / l_fw))
+                )
+
+        return np.sum(integrals, axis=0)
 
     @summarize_values
-    def groupwise_reaction_rate_bz(self, n: int, reaction_type: str) -> float:
-        """Calculate the reaction rate in the blanket.
+    def groupwise_integrated_flux_bz(self, n: int) -> float:
+        """
+        Calculate the integrated flux[cm s^-1], which can be mulitplied to any
+        macroscopic cross-section [cm^-1] to get the reaction rate [s^-1] in
+        the blanket.
 
         Parameters
         ----------
         n:
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
-            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
-        reaction_type:
-            string of either {"total", "removal"}.
+            Therefore n=0 shows the integrated flux for group 1, n=1 for group 2, etc.
+        """
+        integrals = []
+        for g in range(n + 1):
+            if self.l_bz_2[g]>0:
+                l_bz = np.sqrt(self.l_bz_2[g])
+                integrals.append(
+                    l_bz * self.integration_constants[n].bz_c[g] *
+                    (np.sinh(self.x_bz_cm / l_bz) - np.sinh(self.x_fw_cm / l_bz))
+                )
+                integrals.append(
+                    l_bz * self.integration_constants[n].bz_s[g] *
+                    (np.cosh(self.x_bz_cm / l_bz) - np.cosh(self.x_fw_cm / l_bz))
+                )
+            else:
+                l_bz = np.sqrt(-self.l_bz_2[g])
+                integrals.append(
+                    l_bz * self.integration_constants[n].bz_c[g] *
+                    (np.sin(self.x_bz_cm / l_bz) - np.sin(self.x_fw_cm / l_bz))
+                )
+                integrals.append(
+                    -l_bz * self.integration_constants[n].bz_s[g] *
+                    (np.cos(self.x_bz_cm / l_bz) - np.cos(self.x_fw_cm / l_bz))
+                )
+        return np.sum(integrals, axis=0)
+
+    @summarize_values
+    def groupwise_neutron_current_fw(self, n: int, x: float | npt.NDArray) -> float:
+        """Get the neutron current (in the outward direction) in the fw"""
+        x_cm = x * 100
+        differentials = []
+        for g in range(n + 1):
+            if self.l_fw_2[g]>0:
+                l_fw = np.sqrt(self.l_fw_2[g])
+                differentials.append(
+                    self.integration_constants[n].fw_c[g] / l_fw * np.sinh(x_cm / l_fw)
+                )
+                differentials.append(
+                    self.integration_constants[n].fw_s[g] / l_fw * np.cosh(x_cm / l_fw)
+                )
+            else:
+                l_fw = np.sqrt(-self.l_fw_2[g])
+                differentials.append(
+                    - self.integration_constants[n].fw_c[g] / l_fw * np.sin(x_cm / l_fw)
+                )
+                differentials.append(
+                    self.integration_constants[n].fw_s[g] / l_fw * np.cos(x_cm / l_fw)
+                )
+        return -self.d_fw_cm[n] * np.sum(differentials, axis=0)
+
+    @summarize_values
+    def groupwise_neutron_current_bz(self, n: int, x: float | npt.NDArray) -> float:
+        """Get the neutron current (in the outward direction) in the bz."""
+        x_cm = x * 100
+        differentials = []
+        for g in range(n + 1):
+            if self.l_bz_2[g]>0:
+                l_bz = np.sqrt(self.l_bz_2[g])
+                differentials.append(
+                    self.integration_constants[n].bz_c[g] / l_bz * np.sinh(x_cm / l_bz)
+                )
+                differentials.append(
+                    self.integration_constants[n].bz_s[g] / l_bz * np.cosh(x_cm / l_bz)
+                )
+            else:
+                l_bz = np.sqrt(-self.l_bz_2[g])
+                differentials.append(
+                    - self.integration_constants[n].bz_c[g] / l_bz * np.sin(x_cm / l_bz)
+                )
+                differentials.append(
+                    self.integration_constants[n].bz_s[g] / l_bz * np.cos(x_cm / l_bz)
+                )
+        return -self.d_bz_cm[n] * np.sum(differentials, axis=0)
 
+    @summarize_values
+    def groupwise_neutron_current_at(
+        self, n: int, x: float | npt.NDArray
+    ) -> npt.NDArray:
         """
-        if reaction_type == "removal":
-            sigma = self.bz_mat.sigma_t_cm[n] - self.bz_mat.sigma_s_cm[n, n]
-        elif reaction_type == "total":
-            sigma = self.bz_mat.sigma_t_cm[n]
-        else:
-            raise NotImplementedError(
-                f"Not yet implemented the reaction type {reaction_type}"
-            )
+        Neutron current [cm^-2 s^-1] anywhere within the valid range of x,
+        i.e. from -self.x_bz_cm to self.x_bz_cm.
+
+        Parameters
+        ----------
+        n:
+            Neutron group index. n <= n_groups - 1.
+            Therefore n=0 shows the neutron current for group 1, n=1 for group 2, etc.
+        x:
+            The depth where we want the neutron flux [m].
+            Valid only between x= -extended boundary to +-extended boundary of that group
 
-        return sigma * _groupwise_integrated_flux_bz(
-            self.integration_constants[n],
-            self,
-            n,
+        Raises
+        ------
+        ValueError
+            The inputted x
+        """
+        if np.isscalar(x):
+            return self.groupwise_neutron_flux_at(n, [x])[0]
+        x = np.asarray(x)
+        in_fw = abs(x * 100) <= self.x_fw_cm
+        in_bz = np.logical_and(
+            self.x_fw_cm < abs(x * 100),
+            abs(x * 100) <= self.x_bz_cm,
         )
+        if (~np.logical_or(in_fw, in_bz)).any():
+            raise ValueError(
+                f"for neutron group {n}, neutron flux can only be calculated "
+                f"up to {self.x_bz_cm} cm, which {x * 100} cm violates!"
+            )
+
+        out_current = np.zeros_like(x)
+        out_current[in_fw] = self.groupwise_neutron_current_fw(n, x[in_fw])
+        out_current[in_bz] = self.groupwise_neutron_current_bz(n, x[in_bz])
+        return out_current
 
     @summarize_values
     def groupwise_neutron_current_fw2bz(self, n: int) -> float:
@@ -712,16 +815,14 @@ def groupwise_neutron_current_fw2bz(self, n: int) -> float:
         ----------
         n:
             The index of the neutron group that we want the current for. n <= n_groups - 1.
-            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
+            Therefore n=0 shows the neutron current for group 1, n=1 for group 2, etc.
 
         Returns
         -------
         :
             current in cm^-2
         """
-        return _groupwise_neutron_current_fw2bz(
-            self.integration_constants[n], self, n, False
-        )
+        return self.groupwise_neutron_current_bz(n, self.x_fw_cm/100)
 
     @summarize_values
     def groupwise_neutron_current_escaped(self, n: int) -> float:
@@ -731,18 +832,14 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
         ----------
         n:
             The index of the neutron group that we want the current for. n <= n_groups - 1.
-            Therefore n=0 shows the reaction rate for group 1, n=1 for group 2, etc.
+            Therefore n=0 shows the neutron current for group 1, n=1 for group 2, etc.
 
         Returns
         -------
         :
             current in cm^-2
         """
-        return _groupwise_neutron_current_escaped(
-            self.integration_constants[n],
-            self,
-            n,
-        )
+        return self.groupwise_neutron_current_bz(n, self.x_bz_cm/100)
 
     def plot(
         self,
@@ -831,193 +928,6 @@ def plot(
         return ax
 
 
-
-
-def _groupwise_neutron_flux_bz(
-    int_const: IntegrationConstants,
-    self: NeutronFluxProfile,
-    n: int,
-    x_cm: float | npt.NDArray,
-) -> npt.NDArray:
-    """
-    Calculate groupwise_neutron_flux_bz for NeutronFluxProfile, but
-    in such a way that doesn't trigger the re-calculation of integration_constants
-    (which would've led to RecursionError if called within solve_group_n).
-    """
-    trig_funcs = []
-    for g in range(n + 1):
-        if self.l_bz_2[g]>0:
-            c, s = np.cosh, np.sinh
-            l_bz = np.sqrt(self.l_bz_2[g])
-        else:
-            c, s = np.cos, np.sin
-            l_bz = np.sqrt(-self.l_bz_2[g])
-        trig_funcs.append(int_const.bz_c[g] * c(abs(x_cm) / l_bz))
-        trig_funcs.append(int_const.bz_s[g] * s(abs(x_cm) / l_bz))
-    return np.sum(trig_funcs, axis=0)
-
-
-def _groupwise_integrated_flux_fw(
-    int_const: IntegrationConstants, self: NeutronFluxProfile, n: int
-) -> float:
-    """
-    Help calculate groupwise_reaction_rate_fw for NeutronFluxProfile, but
-    in such a way that doesn't trigger the re-calculation of integration_constants
-    (which would've led to RecursionError if called within solve_group_n).
-    """
-
-    integrals = []
-    for g in range(n + 1):
-        if self.l_fw_2[g]>0:
-            l_fw = np.sqrt(self.l_fw_2[g])
-            integrals.append(
-                l_fw * int_const.fw_c[g] * np.sinh(self.x_fw_cm / l_fw)
-            )
-            integrals.append(
-                l_fw * int_const.fw_s[g] * (np.cosh(self.x_fw_cm / l_fw) - 1)
-            )
-        else:
-            l_fw = np.sqrt(-self.l_fw_2[g])
-            integrals.append(
-                l_fw * int_const.fw_c[g] * np.sin(self.x_fw_cm / l_fw)
-            )
-            integrals.append(
-                l_fw * int_const.fw_s[g] * (1 - np.cos(self.x_fw_cm / l_fw))
-            )
-
-    return np.sum(integrals, axis=0)
-
-
-def _groupwise_integrated_flux_bz(
-    int_const: IntegrationConstants, self: NeutronFluxProfile, n: int
-) -> float:
-    """
-    Help calculate groupwise_reaction_rate_bz for NeutronFluxProfile, but
-    in such a way that doesn't trigger the re-calculation of integration_constants
-    (which would've led to RecursionError if called within solve_group_n).
-    """
-
-    integrals = []
-    for g in range(n + 1):
-        if self.l_bz_2[g]>0:
-            l_bz = np.sqrt(self.l_bz_2[g])
-            integrals.append(
-                l_bz * int_const.bz_c[g] *
-                (np.sinh(self.x_bz_cm / l_bz) - np.sinh(self.x_fw_cm / l_bz))
-            )
-            integrals.append(
-                l_bz * int_const.bz_s[g] *
-                (np.cosh(self.x_bz_cm / l_bz) - np.cosh(self.x_fw_cm / l_bz))
-            )
-        else:
-            l_bz = np.sqrt(-self.l_bz_2[g])
-            integrals.append(
-                l_bz * int_const.bz_c[g] *
-                (np.sin(self.x_bz_cm / l_bz) - np.sin(self.x_fw_cm / l_bz))
-            )
-            integrals.append(
-                -l_bz * int_const.bz_s[g] *
-                (np.cos(self.x_bz_cm / l_bz) - np.cos(self.x_fw_cm / l_bz))
-            )
-    return np.sum(integrals, axis=0)
-
-
-def _groupwise_neutron_current_fw2bz(
-    int_const: IntegrationConstants,
-    self: NeutronFluxProfile,
-    n: int,
-    alt_implementation: bool = False,
-) -> float:
-    """
-    Calculate groupwise_neutron_current_fw2bz for NeutronFluxProfile, but
-    in such a way that doesn't trigger the re-calculation of integration_constants
-    (which would've led to RecursionError if called within solve_group_n).
-
-    Returns
-    -------
-    :
-        current in cm^-2
-    """
-    differentials = []
-    if alt_implementation:
-        for g in range(n + 1):
-            if self.l_fw_2[g]>0:
-                l_fw = np.sqrt(self.l_fw_2[g])
-                differentials.append(
-                    int_const.fw_c[g] / l_fw * np.sinh(self.x_fw_cm / l_fw)
-                )
-                differentials.append(
-                    int_const.fw_s[g] / l_fw * np.cosh(self.x_fw_cm / l_fw)
-                )
-            else:
-                l_fw = np.sqrt(-self.l_fw_2[g])
-                differentials.append(
-                    - int_const.fw_c[g] / l_fw * np.sin(self.x_fw_cm / l_fw)
-                )
-                differentials.append(
-                    int_const.fw_s[g] / l_fw * np.cos(self.x_fw_cm / l_fw)
-                )
-
-        return -self.d_fw_cm[n] * np.sum(differentials, axis=0)
-
-    # equivalent definition below: (should yield the same answer once converged)
-    for g in range(n + 1):
-        if self.l_bz_2[g]>0:
-            l_bz = np.sqrt(self.l_bz_2[g])
-            differentials.append(
-                int_const.bz_c[g] / l_bz * np.sinh(self.x_fw_cm / l_bz)
-            )
-            differentials.append(
-                int_const.bz_s[g] / l_bz * np.cosh(self.x_fw_cm / l_bz)
-            )
-        else:
-            l_bz = np.sqrt(-self.l_bz_2[g])
-            differentials.append(
-                - int_const.bz_c[g] / l_bz * np.sin(self.x_fw_cm / l_bz)
-            )
-            differentials.append(
-                int_const.bz_s[g] / l_bz * np.cos(self.x_fw_cm / l_bz)
-            )
-
-    return -self.d_bz_cm[n] * np.sum(differentials, axis=0)
-
-
-def _groupwise_neutron_current_escaped(
-    int_const: IntegrationConstants,
-    self: NeutronFluxProfile,
-    n: int,
-) -> float:
-    """
-    Calculate groupwise_neutron_current_escaped for NeutronFluxProfile, but
-    in such a way that doesn't trigger the re-calculation of integration_constants
-    (which would've led to RecursionError if called within solve_group_n).
-
-    Returns
-    -------
-    :
-        current in cm^-2
-    """
-    differentials = []
-    for g in range(n + 1):
-        if self.l_bz_2[g]>0:
-            l_bz = np.sqrt(self.l_bz_2[g])
-            differentials.append(
-                int_const.bz_c[g] / l_bz * np.sinh(self.x_bz_cm / l_bz)
-            )
-            differentials.append(
-                int_const.bz_s[g] / l_bz * np.cosh(self.x_bz_cm / l_bz)
-            )
-        else:
-            l_bz = np.sqrt(-self.l_bz_2[g])
-            differentials.append(
-                - int_const.bz_c[g] / l_bz * np.sin(self.x_bz_cm / l_bz)
-            )
-            differentials.append(
-                int_const.bz_s[g] / l_bz * np.cos(self.x_bz_cm / l_bz)
-            )
-    return -self.d_bz_cm[n] * np.sum(differentials, axis=0)
-
-
 def _generate_x_range(
     x_max_cm: float,
     approx_n_points: int,
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index cec79b5db2..46a412cf6f 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -465,6 +465,7 @@ class MaterialMacroInfo:
     sigma_t: npt.NDArray[np.float64]
     sigma_s: npt.NDArray
     sigma_in: npt.NDArray | None = None
+    name: str = ""
 
     def __post_init__(self):
         """
diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 14a05e5c08..a028d97b0b 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -16,14 +16,14 @@ def test_one_group():
     sigma_fw_t = 1 / mfp_fw_t  # [1/m]
     sigma_fw_s = 1 / mfp_fw_s  # [1/m]
     a_fw = 52
-    fw_material = MaterialMacroInfo(dummy, a_fw, [sigma_fw_t], [[sigma_fw_s]])
+    fw_material = MaterialMacroInfo(dummy, a_fw, [sigma_fw_t], [[sigma_fw_s]], name="fw")
 
     mfp_bz_s = 97 * 0.01  # [m]
     mfp_bz_t = 35.8 * 0.01  # [m]
     sigma_bz_s = 1 / mfp_bz_s  # [1/m]
     sigma_bz_t = 1 / mfp_bz_t  # [1/m]
     a_bz = 71
-    bz_material = MaterialMacroInfo(dummy, a_bz, [sigma_bz_t], [[sigma_bz_s]])
+    bz_material = MaterialMacroInfo(dummy, a_bz, [sigma_bz_t], [[sigma_bz_s]], name="bz")
 
     x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
     incoming_flux = 41
@@ -61,7 +61,7 @@ def test_one_group_with_fission():
     sigma_fw_t = 1 / mfp_fw_t  # [1/m]
     sigma_fw_s = 1 / mfp_fw_s  # [1/m]
     a_fw = 52
-    fw_material = MaterialMacroInfo(dummy, a_fw, [sigma_fw_t], [[sigma_fw_s]])
+    fw_material = MaterialMacroInfo(dummy, a_fw, [sigma_fw_t], [[sigma_fw_s]], name="fw")
 
     mfp_bz_s = 97 * 0.01  # [m]
     mfp_bz_t = 35.8 * 0.01  # [m]
@@ -71,7 +71,7 @@ def test_one_group_with_fission():
 
     g = 1.2
     nu_sigma_bz_f = g * (sigma_bz_t - sigma_bz_s)
-    bz_material = MaterialMacroInfo(dummy, a_bz, [sigma_bz_t], [[sigma_bz_s]], [[nu_sigma_bz_f]])
+    bz_material = MaterialMacroInfo(dummy, a_bz, [sigma_bz_t], [[sigma_bz_s]], [[nu_sigma_bz_f]], name="bz")
 
     x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
     incoming_flux = 41
@@ -86,4 +86,4 @@ def test_two_groups():
     """
     Same group n=0 values as test_one_group. Second group can have a massive removal cross-section 
     """
-    
+
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 8ebefa95c0..b99d434e9a 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -82,13 +82,15 @@ def test_has_reactions():
 
 
 def test_three_group():
-    # no negative flux
+    # 1. No negative flux
     dummy = [10000, 1000, 100, 1]
     # fw_mat = MaterialMacroInfo()
     bz_mat = MaterialMacroInfo
-    # same L_1 and L_3 shoudl yield integration_constants[2].fw_pos[0] and
-    # integration_constants[2].fw_neg[0] = 0.0
+    # 2. same L_1 and L_3 shoudl yield integration_constants[2].fw_c[0] and
+    # integration_constants[2].fw_s[0] = 0.0
+    # self.l_fw_2 == self.l_fw_2[n] case.
+    # 
 
 
 def test_two_group():
-    """"""
+    """Ensure continuity at interface for both groups."""

From 15b527c1b25fc95d9e01aec233f84f74ba749330 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 20 Nov 2025 13:46:25 +0000
Subject: [PATCH 60/98] Completed one-group fission regression test.

---
 tests/regression/test_neutronics.py | 21 ++++++++++++++++++---
 1 file changed, 18 insertions(+), 3 deletions(-)

diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index a028d97b0b..0224b825cf 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -44,11 +44,14 @@ def test_one_group():
     assert np.isclose(neutron_profile.neutron_current_fw2bz(), 22.3980214162)
     assert np.isclose(neutron_profile.neutron_current_escaped(), 1.22047369356)
 
+    fw_removal = sigma_fw_t - sigma_fw_s - fw_material.sigma_in[0, 0]
+    bz_removal = sigma_bz_t - sigma_bz_s - bz_material.sigma_in[0, 0]
     assert np.isclose(neutron_profile.flux,
         neutron_profile.neutron_current_escaped()
-        + neutron_profile.reaction_rate_fw("removal")
-        + neutron_profile.reaction_rate_bz("removal")
-    )
+        + fw_removal/100 * neutron_profile.integrated_flux_fw()
+        + bz_removal/100 * neutron_profile.integrated_flux_bz()
+    ), "Conservation of neutrons"
+    
 def test_one_group_with_fission():
     """
     Regression test against Desmos snapshot with fission involved:
@@ -79,8 +82,20 @@ def test_one_group_with_fission():
         incoming_flux, x_fw, x_bz, fw_material, bz_material
     )
     assert np.isclose(neutron_profile.l_bz_2[0], -58.2869567709**2)
+    assert np.isclose(neutron_profile.neutron_flux_at(-4.79675/100), 159.9434), "Minimum flux in FW"
+    assert np.isclose(neutron_profile.neutron_flux_at(4.79675/100), 159.9434), "Minimum flux in FW"
     assert np.isclose(neutron_profile.neutron_flux_at(18.96382/100), 164.81245), "Maximum flux in BZ"
+    assert np.isclose(neutron_profile.neutron_flux_at(-18.96382/100), 164.81245), "Maximum flux in BZ"
     assert np.isclose(neutron_profile.neutron_flux_fw(x_fw), neutron_profile.neutron_flux_bz(x_fw)), "Flux continuity assurance"
+    assert np.isclose(neutron_profile.neutron_current_fw2bz(), -7.6275782637960745), "Negative current because BZ (breeding) is backflowing into the FW"
+    assert np.isclose(neutron_profile.neutron_current_escaped(), 30.665951670177186), "positive escaped current."
+    fw_removal = sigma_fw_t - sigma_fw_s - fw_material.sigma_in[0, 0]
+    bz_removal = sigma_bz_t - sigma_bz_s - bz_material.sigma_in[0, 0]
+    assert np.isclose(neutron_profile.flux,
+        neutron_profile.neutron_current_escaped()
+        + fw_removal/100 * neutron_profile.integrated_flux_fw()
+        + bz_removal/100 * neutron_profile.integrated_flux_bz()
+    ), "Conservation of neutrons"
 
 def test_two_groups():
     """

From 3d4f8c0f14940d8b3e49e78cdd7645fe46037782 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 20 Nov 2025 14:32:35 +0000
Subject: [PATCH 61/98] Updated the docs for MaterialMacroInfo parameters.

---
 process/neutronics_data.py | 24 +++++++++++++++---------
 1 file changed, 15 insertions(+), 9 deletions(-)

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index 46a412cf6f..f406e01d90 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -444,16 +444,22 @@ class MaterialMacroInfo:
     sigma_t:
         total macroscopic cross-section, 1D array of len = n.
     sigma_s:
-        Source matrix, 2D array of shape (n, n). Includes a sum of the
-        scattering matrix and n2n matrix. Scattering matrix is the
-        macroscopic scattering cross-section from group i to j, and the
-        n2n matrix is the macroscopic cross-section for production of
-        group j neutrons due to group i neutrons. It should be
-        mostly-upper-triangular, i.e. the lower triangle must have small values
+        Macroscopic scattering cross-section from group i to j, forming a 2D
+        array of shape (n, n). It should be mostly-upper-triangular, i.e. the
+        lower triangle (excluding the main diagonal) must have small values
         compared to the average macroscopic cross-section value of the matrix.
-
-        e.g. [0,3] would be the cross-section for proudction of group 4 neutrons
-        due to reactions (scattering and n2n) caused by group 1 neutrons.
+        Neutrons fluxes are assumed to be isotropic before and after scattering.
+
+        e.g. [0,3] would be the cross-section for group 4 neutrons scattered-in
+        from group 1 neutrons.
+    sigma_in:
+        In-source matrix: for now, it includes a sum of the matrix of (n,2n)
+        reactions and fission reactions. Same logic as the scattering matrix,
+        i.e. probability of group j neutrons produced (presumed to be
+        isotropic) per unit flux of group i neutrons.
+
+        e.g. [0,3] would be the cross-section for the proudction of group 4
+        neutrons due to n,2n and fission reactions caused by group 1 neutrons.
     group_structure:
         energy bin edges, 1D array of len = n+1, in eV.
     avg_atomic_mass:

From e38dc0e42dfd501bf3aad5a0fc6af3b927ccdebb Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 20 Nov 2025 15:48:48 +0000
Subject: [PATCH 62/98] Converted from cgs to metric

---
 process/neutronics.py      | 303 ++++++++++++++++++-------------------
 process/neutronics_data.py |  15 +-
 2 files changed, 151 insertions(+), 167 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index d4956ae39b..6229e80fcd 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -67,9 +67,9 @@ def __set_name__(self, owner, name):
 
 def get_diffusion_coefficient_and_length(
     avg_atomic_mass: float,
-    total_xs_cm: float,
-    scattering_xs_cm: float,
-    in_source_xs_cm: float,
+    total_xs: float,
+    scattering_xs: float,
+    in_source_xs: float,
 ) -> tuple[float, float]:
     r"""
     Calculate the diffusion coefficient for a given scattering and total macro-scopic
@@ -77,16 +77,16 @@ def get_diffusion_coefficient_and_length(
 
     Parameters
     ----------
-    total_xs_cm:
+    total_xs:
         macroscopic total cross-section `\sigma_{total}`, i.e. any reaction between
         nuclei and neutrons, that either changes the neutron's path or remove it from
         that energy group.
-        Unit: cm^-1
-    scattering_xs_cm:
+        Unit: m^-1
+    scattering_xs:
         macroscopic total cross-section `\sigma_{scatter}`, i.e. number of reactions per
         unit distance travelled by the neutron that leads to it being scattered (without
         getting absorbed).
-        Unit: cm^-1
+        Unit: m^-1
     avg_atomic_mass:
         Average atomic mass in [amu]. This can be approximated by the atomic number 'A'
         of the medium that the neutron passes through. The effect of the more-anisotropic
@@ -98,18 +98,16 @@ def get_diffusion_coefficient_and_length(
     -------
     diffusion_coef:
         The diffusion coefficient as given by Reactor Analysis, Duderstadt and Hamilton.
-        unit: [cm]
+        unit: [m]
     diffusion_len_2:
         The square of the characteristic diffusion length as given by Reactor Analysis,
         Duderstadt and Hamilton.
-        unit: [cm]
+        unit: [m^2]
     """
 
-    transport_xs = total_xs_cm - 2 / (3 * avg_atomic_mass) * scattering_xs_cm
+    transport_xs = total_xs - 2 / (3 * avg_atomic_mass) * scattering_xs
     diffusion_coef = 1 / 3 / transport_xs
-    diffusion_len_2 = diffusion_coef / (
-        total_xs_cm - scattering_xs_cm - in_source_xs_cm
-    )
+    diffusion_len_2 = diffusion_coef / (total_xs - scattering_xs - in_source_xs)
     return diffusion_coef, diffusion_len_2
 
 
@@ -235,11 +233,11 @@ def __init__(
         ----------
         flux:
             Nuetron flux directly emitted by the plasma, incident on the first wall.
-            unit: cm^-2 s^-1
+            unit: m^-2 s^-1
         x_fw:
-            thickness of the first wall [m]. It will be converted and stored in [cm].
+            thickness of the first wall [m].
         x_bz:
-            thickness of the blanket + first-wall [m]. It will be converted and stored in [cm].
+            thickness of the blanket + first-wall [m].
         fw_mat:
             first wall material information
         bz_mat:
@@ -247,10 +245,6 @@ def __init__(
 
         Attributes
         ----------
-        x_fw_cm:
-            thickness of the first wall, converted from [m] into [cm].
-        x_bz_cm:
-            thickness of the blanket + first-wall, converted from [m] into [cm].
         fw_mat:
             first wall material information
         bz_mat:
@@ -263,19 +257,19 @@ def __init__(
         integration_constants:
             Integration constants that determine the flux shape (and therefore
             reaction rates and neutron current) of each group. A set of four
-            constants, two for fw and two for bz; each with unit: [cm^-2 s^-1]
+            constants, two for fw and two for bz; each with unit: [m^-2 s^-1]
         l_fw_2:
             square of the characteristic diffusion length as given by Reactor Analysis,
-            Duderstadt and Hamilton, applied to the fw. unit: [cm]
+            Duderstadt and Hamilton, applied to the fw. unit: [m^2]
         l_bz_2:
             square of the characteristic diffusion length as given by Reactor Analysis,
-            Duderstadt and Hamilton, applied to the bz. unit: [cm]
-        d_fw_cm:
-            diffusion constants in the fw. unit: [cm]
-        d_bz_cm:
-            diffusion constants in the bz. unit: [cm]
-        extended_boundary_cm:
-            extended boundary (outside the bz) for each group, stored in cm.
+            Duderstadt and Hamilton, applied to the bz. unit: [m^2]
+        d_fw:
+            diffusion constants in the fw. unit: [m]
+        d_bz:
+            diffusion constants in the bz. unit: [m]
+        extended_boundary:
+            extended boundary (outside the bz) for each group.
             This value should be larger than x_bz for each of them.
         """
         self.flux = flux  # flux incident on the first wall.
@@ -283,8 +277,7 @@ def __init__(
             raise ValueError(
                 f"Cannot construct a first-wall+blanket module where{x_fw=}, {x_bz=}."
             )
-        self.x_fw_cm = x_fw * 100
-        self.x_bz_cm = x_bz * 100
+        self.x_fw, self.x_bz = x_fw, x_bz
         self.fw_mat = fw_mat
         self.bz_mat = bz_mat
         self.n_groups = self.fw_mat.n_groups
@@ -305,40 +298,40 @@ def __init__(
         # diffusion lengths squared
         self.l_fw_2 = AutoPopulatingDict(self.solve_group_n, "l_fw_2")
         self.l_bz_2 = AutoPopulatingDict(self.solve_group_n, "l_bz_2")
-        self.d_fw_cm = AutoPopulatingDict(self.solve_group_n, "d_fw_cm")
-        self.d_bz_cm = AutoPopulatingDict(self.solve_group_n, "d_bz_cm")
-        self.extended_boundary_cm = AutoPopulatingDict(
-            self.solve_group_n, "extended_boundary_cm"
+        self.d_fw = AutoPopulatingDict(self.solve_group_n, "d_fw")
+        self.d_bz = AutoPopulatingDict(self.solve_group_n, "d_bz")
+        self.extended_boundary = AutoPopulatingDict(
+            self.solve_group_n, "extended_boundary"
         )
 
     def solve_lowest_group(self) -> None:
         """
         Solve the highest-energy (lowest-lethargy)-group's neutron diffusion equation.
-        Store the solved constants in self.extended_boundary_cm[0], self.l_fw_2[0],
+        Store the solved constants in self.extended_boundary[0], self.l_fw_2[0],
         self.l_bz_2[0], and self.integration_constants[0].
-        integration_constants have units of [cm^-2 s^-1].
+        integration_constants have units of [m^-2 s^-1].
         """
         n = 0
         if n in self.integration_constants:
             return  # skip if it has already been solved.
-        self.d_fw_cm[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
+        self.d_fw[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
             self.fw_mat.avg_atomic_mass,
-            self.fw_mat.sigma_t_cm[n],
-            self.fw_mat.sigma_s_cm[n, n],
-            self.fw_mat.sigma_in_cm[n, n],
+            self.fw_mat.sigma_t[n],
+            self.fw_mat.sigma_s[n, n],
+            self.fw_mat.sigma_in[n, n],
         )
-        self.d_bz_cm[n], self.l_bz_2[n] = get_diffusion_coefficient_and_length(
+        self.d_bz[n], self.l_bz_2[n] = get_diffusion_coefficient_and_length(
             self.bz_mat.avg_atomic_mass,
-            self.bz_mat.sigma_t_cm[n],
-            self.bz_mat.sigma_s_cm[n, n],
-            self.bz_mat.sigma_in_cm[n, n],
+            self.bz_mat.sigma_t[n],
+            self.bz_mat.sigma_s[n, n],
+            self.bz_mat.sigma_in[n, n],
         )
         l_fw = np.sqrt(abs(self.l_fw_2[n]))
         l_bz = np.sqrt(abs(self.l_bz_2[n]))
-        x_fw, x_bz = self.x_fw_cm, self.x_bz_cm
-        d_fw = self.d_fw_cm[n]
-        d_bz = self.d_bz_cm[n]
-        self.extended_boundary_cm[n] = x_bz + extrapolation_length(d_bz)
+        x_fw, x_bz = self.x_fw, self.x_bz
+        d_fw = self.d_fw[n]
+        d_bz = self.d_bz[n]
+        self.extended_boundary[n] = x_bz + extrapolation_length(d_bz)
         if self.l_fw_2[n] > 0:
             s_fw = np.sinh(x_fw / l_fw)
             c_fw = np.cosh(x_fw / l_fw)
@@ -348,17 +341,17 @@ def solve_lowest_group(self) -> None:
             c_fw = np.cos(x_fw / l_fw)
             t_fw = np.tan(x_fw / l_fw)
         if self.l_bz_2[n] > 0:
-            c_bz = np.cosh(self.extended_boundary_cm[n] / l_bz)
-            s_bz = np.sinh(self.extended_boundary_cm[n] / l_bz)
-            c_bz_mod = np.cosh((self.extended_boundary_cm[n] - x_fw) / l_bz)
-            s_bz_mod = np.sinh((self.extended_boundary_cm[n] - x_fw) / l_bz)
-            t_bz_mod = np.tanh((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            c_bz = np.cosh(self.extended_boundary[n] / l_bz)
+            s_bz = np.sinh(self.extended_boundary[n] / l_bz)
+            c_bz_mod = np.cosh((self.extended_boundary[n] - x_fw) / l_bz)
+            s_bz_mod = np.sinh((self.extended_boundary[n] - x_fw) / l_bz)
+            t_bz_mod = np.tanh((self.extended_boundary[n] - x_fw) / l_bz)
         else:
-            c_bz = np.cos(self.extended_boundary_cm[n] / l_bz)
-            s_bz = np.sin(self.extended_boundary_cm[n] / l_bz)
-            c_bz_mod = np.cos((self.extended_boundary_cm[n] - x_fw) / l_bz)
-            s_bz_mod = np.sin((self.extended_boundary_cm[n] - x_fw) / l_bz)
-            t_bz_mod = np.tan((self.extended_boundary_cm[n] - x_fw) / l_bz)
+            c_bz = np.cos(self.extended_boundary[n] / l_bz)
+            s_bz = np.sin(self.extended_boundary[n] / l_bz)
+            c_bz_mod = np.cos((self.extended_boundary[n] - x_fw) / l_bz)
+            s_bz_mod = np.sin((self.extended_boundary[n] - x_fw) / l_bz)
+            t_bz_mod = np.tan((self.extended_boundary[n] - x_fw) / l_bz)
 
         fw_c_factor = - self.flux * (
             l_fw / d_fw 
@@ -387,7 +380,7 @@ def solve_lowest_group(self) -> None:
     def solve_group_n(self, n: int) -> None:
         """
         Solve the n-th group of neutron's diffusion equation, where n<=n_groups-1.
-        Store the solved constants in self.extended_boundary_cm[n-1], self.l_fw_2[n-1],
+        Store the solved constants in self.extended_boundary[n-1], self.l_fw_2[n-1],
         self.l_bz_2[n-1], and self.integration_constants[n-1].
 
         Parameters
@@ -417,27 +410,27 @@ def solve_group_n(self, n: int) -> None:
             # Parameter to be changed later, to allow solving non-down-scatter
             # only systems by iterating.
             first_iteration = True 
-        self.d_fw_cm[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
+        self.d_fw[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
             self.fw_mat.avg_atomic_mass,
-            self.fw_mat.sigma_t_cm[n],
-            self.fw_mat.sigma_s_cm[n, n],
-            self.fw_mat.sigma_in_cm[n, n],
+            self.fw_mat.sigma_t[n],
+            self.fw_mat.sigma_s[n, n],
+            self.fw_mat.sigma_in[n, n],
         )
-        self.d_bz_cm[n], self.l_bz_2[n] = get_diffusion_coefficient_and_length(
+        self.d_bz[n], self.l_bz_2[n] = get_diffusion_coefficient_and_length(
             self.bz_mat.avg_atomic_mass,
-            self.bz_mat.sigma_t_cm[n],
-            self.bz_mat.sigma_s_cm[n, n],
-            self.bz_mat.sigma_in_cm[n, n],
+            self.bz_mat.sigma_t[n],
+            self.bz_mat.sigma_s[n, n],
+            self.bz_mat.sigma_in[n, n],
         )
-        self.extended_boundary_cm[n] = self.x_bz_cm + extrapolation_length(
-            self.d_bz_cm[n]
+        self.extended_boundary[n] = self.x_bz + extrapolation_length(
+            self.d_bz[n]
         )
 
         # Setting up aliases for shorter code
         l_fw_2, l_bz_2 = self.l_fw_2[n], self.l_bz_2[n]
-        d_fw, d_bz = self.d_fw_cm[n], self.d_bz_cm[n]
-        src_fw = self.fw_mat.sigma_s_cm + self.fw_mat.sigma_in_cm
-        src_bz = self.bz_mat.sigma_s_cm + self.bz_mat.sigma_in_cm
+        d_fw, d_bz = self.d_fw[n], self.d_bz[n]
+        src_fw = self.fw_mat.sigma_s + self.fw_mat.sigma_in
+        src_bz = self.bz_mat.sigma_s + self.bz_mat.sigma_in
 
         self.integration_constants[n] = IntegrationConstants([], [], [], [])
         for g in range(n):
@@ -486,21 +479,21 @@ def _set_constants(input_vector: Iterable[float]):
             _ic_n.bz_s[n] = input_vector[3]
 
         def _evaluate_fit():
-            flux_continuity = self.groupwise_neutron_flux_fw(n, self.x_fw_cm/100) - self.groupwise_neutron_flux_bz(n, self.x_fw_cm/100)
-            flux_at_boundary = self.groupwise_neutron_flux_bz(n, self.extended_boundary_cm[n])
-            current_continuity = self.groupwise_neutron_current_fw(n, self.x_fw_cm/100) - self.groupwise_neutron_current_bz(n, self.x_fw_cm/100)
+            flux_continuity = self.groupwise_neutron_flux_fw(n, self.x_fw) - self.groupwise_neutron_flux_bz(n, self.x_fw)
+            flux_at_boundary = self.groupwise_neutron_flux_bz(n, self.extended_boundary[n])
+            current_continuity = self.groupwise_neutron_current_fw(n, self.x_fw) - self.groupwise_neutron_current_bz(n, self.x_fw)
             influx_fw, influx_bz = 0.0, 0.0
             for g in range(self.n_groups):
                 if g>n and not first_iteration:
                     if not self.fw_mat.downscatter_only:
-                        influx_fw += (self.fw_mat.sigma_s_cm[g, n] + self.fw_mat.sigma_in_cm[g, n]) * self.groupwise_integrated_flux_fw(g)
+                        influx_fw += (self.fw_mat.sigma_s[g, n] + self.fw_mat.sigma_in[g, n]) * self.groupwise_integrated_flux_fw(g)
                     if not self.bz_mat.downscatter_only:
-                        influx_bz += (self.bz_mat.sigma_s_cm[g, n] + self.bz_mat.sigma_in_cm[g, n]) * self.groupwise_integrated_flux_bz(g)
+                        influx_bz += (self.bz_mat.sigma_s[g, n] + self.bz_mat.sigma_in[g, n]) * self.groupwise_integrated_flux_bz(g)
                 elif g<=n:
-                    influx_fw += (self.fw_mat.sigma_s_cm[g, n] + self.fw_mat.sigma_in_cm[g, n]) * self.groupwise_integrated_flux_fw(g)
-                    influx_bz += (self.bz_mat.sigma_s_cm[g, n] + self.bz_mat.sigma_in_cm[g, n]) * self.groupwise_integrated_flux_bz(g)
-            removal_fw = self.fw_mat.sigma_t_cm[n] * self.groupwise_integrated_flux_fw(n)
-            removal_bz = self.bz_mat.szsigma_t_cm[n] * self.groupwise_integrated_flux_bz(n)
+                    influx_fw += (self.fw_mat.sigma_s[g, n] + self.fw_mat.sigma_in[g, n]) * self.groupwise_integrated_flux_fw(g)
+                    influx_bz += (self.bz_mat.sigma_s[g, n] + self.bz_mat.sigma_in[g, n]) * self.groupwise_integrated_flux_bz(g)
+            removal_fw = self.fw_mat.sigma_t[n] * self.groupwise_integrated_flux_fw(n)
+            removal_bz = self.bz_mat.sigma_t[n] * self.groupwise_integrated_flux_bz(n)
             # conservation_fw = influx_fw - removal_fw - current_fw2bz
             # conservation_bz = current_fw2bz + influx_bz - removal_bz - escaped_bz
             total_neutron_conservation = (
@@ -535,7 +528,7 @@ def groupwise_neutron_flux_fw(
         self, n: int, x: float | npt.NDArray
     ) -> npt.NDArray:
         """
-        Neutron flux[cm^-2 s^-1] of the n-th group at the first wall, at location x [m].
+        Neutron flux[m^-2 s^-1] of the n-th group at the first wall, at location x [m].
 
         Parameters
         ----------
@@ -554,8 +547,6 @@ def groupwise_neutron_flux_fw(
         flux:
             Neutron flux at x meter from the first wall.
         """
-        x_cm = x * 100
-
         trig_funcs = []
         for g in range(n + 1):
             if self.l_fw_2[g]>0:
@@ -564,15 +555,15 @@ def groupwise_neutron_flux_fw(
             else:
                 c, s = np.cos, np.sin
                 l_fw = np.sqrt(-self.l_fw_2[g])
-            trig_funcs.append(self.integration_constants[n].fw_c[g] * c(abs(x_cm) / l_fw))
-            trig_funcs.append(self.integration_constants[n].fw_s[g] * s(abs(x_cm) / l_fw))
+            trig_funcs.append(self.integration_constants[n].fw_c[g] * c(abs(x) / l_fw))
+            trig_funcs.append(self.integration_constants[n].fw_s[g] * s(abs(x) / l_fw))
         return np.sum(trig_funcs, axis=0)
 
     @summarize_values
     def groupwise_neutron_flux_bz(
         self, n: int, x: float | npt.NDArray
     ) -> npt.NDArray:
-        """Neutron flux[cm^-2 s^-1] of the n-th groupat the blanket, at location x [m].
+        """Neutron flux[m^-2 s^-1] of the n-th groupat the blanket, at location x [m].
 
         Parameters
         ----------
@@ -591,8 +582,6 @@ def groupwise_neutron_flux_bz(
         flux:
             Neutron flux at x meter from the first wall.
         """
-        x_cm = x * 100
-
         trig_funcs = []
         for g in range(n + 1):
             if self.l_bz_2[g]>0:
@@ -601,8 +590,8 @@ def groupwise_neutron_flux_bz(
             else:
                 c, s = np.cos, np.sin
                 l_bz = np.sqrt(-self.l_bz_2[g])
-            trig_funcs.append(self.integration_constants[n].bz_c[g] * c(abs(x_cm) / l_bz))
-            trig_funcs.append(self.integration_constants[n].bz_s[g] * s(abs(x_cm) / l_bz))
+            trig_funcs.append(self.integration_constants[n].bz_c[g] * c(abs(x) / l_bz))
+            trig_funcs.append(self.integration_constants[n].bz_s[g] * s(abs(x) / l_bz))
         return np.sum(trig_funcs, axis=0)
 
     @summarize_values
@@ -610,8 +599,8 @@ def groupwise_neutron_flux_at(
         self, n: int, x: float | npt.NDArray
     ) -> npt.NDArray:
         """
-        Neutron flux [cm^-2 s^-1] anywhere within the valid range of x,
-        i.e. [-self.extended_boundary_cm[n], self.extended_boundary_cm[n]].
+        Neutron flux [m^-2 s^-1] anywhere within the valid range of x,
+        i.e. [-self.extended_boundary[n], self.extended_boundary[n]].
 
         Parameters
         ----------
@@ -630,15 +619,15 @@ def groupwise_neutron_flux_at(
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
         x = np.asarray(x)
-        in_fw = abs(x * 100) <= self.x_fw_cm
+        in_fw = abs(x) <= self.x_fw
         in_bz = np.logical_and(
-            self.x_fw_cm < abs(x * 100),
-            abs(x * 100) <= self.extended_boundary_cm[n],
+            self.x_fw < abs(x),
+            abs(x) <= self.extended_boundary[n],
         )
         if (~np.logical_or(in_fw, in_bz)).any():
             raise ValueError(
                 f"for neutron group {n}, neutron flux can only be calculated "
-                f"up to {self.extended_boundary_cm[n]} cm, which {x * 100} cm violates!"
+                f"up to {self.extended_boundary[n]} m, which {x} m violates!"
             )
 
         out_flux = np.zeros_like(x)
@@ -650,8 +639,8 @@ def groupwise_neutron_flux_at(
     @summarize_values
     def groupwise_integrated_flux_fw(self, n: int) -> float:
         """
-        Calculate the integrated flux[cm s^-1], which can be mulitplied to any
-        macroscopic cross-section [cm^-1] to get the reaction rate [s^-1] in
+        Calculate the integrated flux[m^-1 s^-1], which can be mulitplied to any
+        macroscopic cross-section [m^-1] to get the reaction rate [s^-1] in
         the first wall.
 
         Parameters
@@ -665,18 +654,18 @@ def groupwise_integrated_flux_fw(self, n: int) -> float:
             if self.l_fw_2[g]>0:
                 l_fw = np.sqrt(self.l_fw_2[g])
                 integrals.append(
-                    l_fw * self.integration_constants[n].fw_c[g] * np.sinh(self.x_fw_cm / l_fw)
+                    l_fw * self.integration_constants[n].fw_c[g] * np.sinh(self.x_fw / l_fw)
                 )
                 integrals.append(
-                    l_fw * self.integration_constants[n].fw_s[g] * (np.cosh(self.x_fw_cm / l_fw) - 1)
+                    l_fw * self.integration_constants[n].fw_s[g] * (np.cosh(self.x_fw / l_fw) - 1)
                 )
             else:
                 l_fw = np.sqrt(-self.l_fw_2[g])
                 integrals.append(
-                    l_fw * self.integration_constants[n].fw_c[g] * np.sin(self.x_fw_cm / l_fw)
+                    l_fw * self.integration_constants[n].fw_c[g] * np.sin(self.x_fw / l_fw)
                 )
                 integrals.append(
-                    l_fw * self.integration_constants[n].fw_s[g] * (1 - np.cos(self.x_fw_cm / l_fw))
+                    l_fw * self.integration_constants[n].fw_s[g] * (1 - np.cos(self.x_fw / l_fw))
                 )
 
         return np.sum(integrals, axis=0)
@@ -684,8 +673,8 @@ def groupwise_integrated_flux_fw(self, n: int) -> float:
     @summarize_values
     def groupwise_integrated_flux_bz(self, n: int) -> float:
         """
-        Calculate the integrated flux[cm s^-1], which can be mulitplied to any
-        macroscopic cross-section [cm^-1] to get the reaction rate [s^-1] in
+        Calculate the integrated flux[m^-1 s^-1], which can be mulitplied to any
+        macroscopic cross-section [m^-1] to get the reaction rate [s^-1] in
         the blanket.
 
         Parameters
@@ -700,79 +689,77 @@ def groupwise_integrated_flux_bz(self, n: int) -> float:
                 l_bz = np.sqrt(self.l_bz_2[g])
                 integrals.append(
                     l_bz * self.integration_constants[n].bz_c[g] *
-                    (np.sinh(self.x_bz_cm / l_bz) - np.sinh(self.x_fw_cm / l_bz))
+                    (np.sinh(self.x_bz / l_bz) - np.sinh(self.x_fw / l_bz))
                 )
                 integrals.append(
                     l_bz * self.integration_constants[n].bz_s[g] *
-                    (np.cosh(self.x_bz_cm / l_bz) - np.cosh(self.x_fw_cm / l_bz))
+                    (np.cosh(self.x_bz / l_bz) - np.cosh(self.x_fw / l_bz))
                 )
             else:
                 l_bz = np.sqrt(-self.l_bz_2[g])
                 integrals.append(
                     l_bz * self.integration_constants[n].bz_c[g] *
-                    (np.sin(self.x_bz_cm / l_bz) - np.sin(self.x_fw_cm / l_bz))
+                    (np.sin(self.x_bz / l_bz) - np.sin(self.x_fw / l_bz))
                 )
                 integrals.append(
                     -l_bz * self.integration_constants[n].bz_s[g] *
-                    (np.cos(self.x_bz_cm / l_bz) - np.cos(self.x_fw_cm / l_bz))
+                    (np.cos(self.x_bz / l_bz) - np.cos(self.x_fw / l_bz))
                 )
         return np.sum(integrals, axis=0)
 
     @summarize_values
     def groupwise_neutron_current_fw(self, n: int, x: float | npt.NDArray) -> float:
         """Get the neutron current (in the outward direction) in the fw"""
-        x_cm = x * 100
         differentials = []
         for g in range(n + 1):
             if self.l_fw_2[g]>0:
                 l_fw = np.sqrt(self.l_fw_2[g])
                 differentials.append(
-                    self.integration_constants[n].fw_c[g] / l_fw * np.sinh(x_cm / l_fw)
+                    self.integration_constants[n].fw_c[g] / l_fw * np.sinh(x / l_fw)
                 )
                 differentials.append(
-                    self.integration_constants[n].fw_s[g] / l_fw * np.cosh(x_cm / l_fw)
+                    self.integration_constants[n].fw_s[g] / l_fw * np.cosh(x / l_fw)
                 )
             else:
                 l_fw = np.sqrt(-self.l_fw_2[g])
                 differentials.append(
-                    - self.integration_constants[n].fw_c[g] / l_fw * np.sin(x_cm / l_fw)
+                    - self.integration_constants[n].fw_c[g] / l_fw * np.sin(x / l_fw)
                 )
                 differentials.append(
-                    self.integration_constants[n].fw_s[g] / l_fw * np.cos(x_cm / l_fw)
+                    self.integration_constants[n].fw_s[g] / l_fw * np.cos(x / l_fw)
                 )
-        return -self.d_fw_cm[n] * np.sum(differentials, axis=0)
+        return -self.d_fw[n] * np.sum(differentials, axis=0)
 
     @summarize_values
     def groupwise_neutron_current_bz(self, n: int, x: float | npt.NDArray) -> float:
         """Get the neutron current (in the outward direction) in the bz."""
-        x_cm = x * 100
         differentials = []
         for g in range(n + 1):
             if self.l_bz_2[g]>0:
                 l_bz = np.sqrt(self.l_bz_2[g])
                 differentials.append(
-                    self.integration_constants[n].bz_c[g] / l_bz * np.sinh(x_cm / l_bz)
+                    self.integration_constants[n].bz_c[g] / l_bz * np.sinh(x / l_bz)
                 )
                 differentials.append(
-                    self.integration_constants[n].bz_s[g] / l_bz * np.cosh(x_cm / l_bz)
+                    self.integration_constants[n].bz_s[g] / l_bz * np.cosh(x / l_bz)
                 )
             else:
                 l_bz = np.sqrt(-self.l_bz_2[g])
                 differentials.append(
-                    - self.integration_constants[n].bz_c[g] / l_bz * np.sin(x_cm / l_bz)
+                    - self.integration_constants[n].bz_c[g] / l_bz * np.sin(x / l_bz)
                 )
                 differentials.append(
-                    self.integration_constants[n].bz_s[g] / l_bz * np.cos(x_cm / l_bz)
+                    self.integration_constants[n].bz_s[g] / l_bz * np.cos(x / l_bz)
                 )
-        return -self.d_bz_cm[n] * np.sum(differentials, axis=0)
+        return -self.d_bz[n] * np.sum(differentials, axis=0)
 
     @summarize_values
     def groupwise_neutron_current_at(
         self, n: int, x: float | npt.NDArray
     ) -> npt.NDArray:
         """
-        Neutron current [cm^-2 s^-1] anywhere within the valid range of x,
-        i.e. from -self.x_bz_cm to self.x_bz_cm.
+        Neutron current [m^-2 s^-1] anywhere within the valid range of x,
+        i.e. from -self.x_bz to self.x_bz.
 
         Parameters
         ----------
@@ -791,15 +778,15 @@ def groupwise_neutron_current_at(
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
         x = np.asarray(x)
-        in_fw = abs(x * 100) <= self.x_fw_cm
+        in_fw = abs(x) <= self.x_fw
         in_bz = np.logical_and(
-            self.x_fw_cm < abs(x * 100),
-            abs(x * 100) <= self.x_bz_cm,
+            self.x_fw < abs(x),
+            abs(x) <= self.x_bz,
         )
         if (~np.logical_or(in_fw, in_bz)).any():
             raise ValueError(
                 f"for neutron group {n}, neutron flux can only be calculated "
-                f"up to {self.x_bz_cm} cm, which {x * 100} cm violates!"
+                f"up to {self.x_bz} m, which {x} m violates!"
             )
 
         out_current = np.zeros_like(x)
@@ -820,9 +807,9 @@ def groupwise_neutron_current_fw2bz(self, n: int) -> float:
         Returns
         -------
         :
-            current in cm^-2
+            current in m^-2
         """
-        return self.groupwise_neutron_current_bz(n, self.x_fw_cm/100)
+        return self.groupwise_neutron_current_bz(n, self.x_fw)
 
     @summarize_values
     def groupwise_neutron_current_escaped(self, n: int) -> float:
@@ -837,9 +824,9 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
         Returns
         -------
         :
-            current in cm^-2
+            current in m^-2
         """
-        return self.groupwise_neutron_current_bz(n, self.x_bz_cm/100)
+        return self.groupwise_neutron_current_bz(n, self.x_bz)
 
     def plot(
         self,
@@ -867,10 +854,10 @@ def plot(
         ax = ax or plt.axes()
 
         x_bz_left, x_fw, x_bz_right = _generate_x_range(
-            min(self.extended_boundary_cm.values()),
+            min(self.extended_boundary.values()),
             n_points,
             symmetric,
-            self.x_fw_cm,
+            self.x_fw,
         )
         ax.plot(
             x_bz_left,
@@ -896,10 +883,10 @@ def plot(
         if plot_groups:
             for n in range(self.n_groups):
                 x_bz_left, x_fw, x_bz_right = _generate_x_range(
-                    self.extended_boundary_cm[n],
+                    self.extended_boundary[n],
                     n_points,
                     symmetric,
-                    self.x_fw_cm,
+                    self.x_fw,
                 )
                 ax.plot(
                     x_bz_left,
@@ -924,36 +911,36 @@ def plot(
         ax.legend()
         ax.set_title("Neutron flux profile")
         ax.set_xlabel("Distance from the plasma-fw interface [m]")
-        ax.set_ylabel("Neutron flux [cm^-2 s^-1]")
+        ax.set_ylabel("Neutron flux [m^-2 s^-1]")
         return ax
 
 
 def _generate_x_range(
-    x_max_cm: float,
+    x_max: float,
     approx_n_points: int,
     symmetric: bool,
-    fw_bz_split_point_cm: float | None = None,
+    fw_bz_split_point: float | None = None,
 ):
     """Helper function for finding the range of x-values to be plotted.
 
     Parameters
     ----------
-    x_max_cm:
+    x_max:
         absolute value of the maximum x that we want to plot.
-        This is typically obtained by min(extended_boundary_cm), or
-        extended_boundary_cm[n] [cm]
+        This is typically obtained by min(extended_boundary), or
+        extended_boundary[n] [m]
     symmetric:
         Whether we want to plot the negative side of the x-axis as well, forming
         a symmetric plot.
     approx_n_points:
         number of points to be plotted.
-    fw_bz_split_point_cm:
+    fw_bz_split_point:
         FW and BZ region splits at this distance. If provided, we generate separate
-        x ranges for the FW and BZ. [cm]
+        x ranges for the FW and BZ. [m]
 
     Returns
     -------
-    if (fw_bz_split_point_cm, symmetric) = (float value, True):
+    if (fw_bz_split_point, symmetric) = (float value, True):
         x_range_bz_left:
             The array of x-values to be used for plotting the left (negative)
             side of bz. [m]
@@ -963,39 +950,37 @@ def _generate_x_range(
         x_range_bz_right:
             The array of x-values to be used for plotting the right (positive)
             side of bz. [m]
-    elif (fw_bz_split_point_cm, symmetric) = (float value, False):
+    elif (fw_bz_split_point, symmetric) = (float value, False):
         x_range_fw:
             The array of x-values to be used for plotting the right (positive)
             side of fw [m]
         x_range_bz:
             The array of x-values to be used for plotting the right (positive)
             side of bz [m]
-    elif (fw_bz_split_point_cm, symmetric) = (None, True):
+    elif (fw_bz_split_point, symmetric) = (None, True):
         x_range:
             The array of x-values to be used for plotting both sides of the
             neutron flux. [m]
-    else (fw_bz_split_point_cm, symmetric) = (None, False):
+    else (fw_bz_split_point, symmetric) = (None, False):
         x_range:
             The array of x-values to be used for plotting the right (positive)
             side neutron flux. [m]
     """
 
-    x_max = x_max_cm / 100
-    if fw_bz_split_point_cm is not None:
-        x_range = np.linspace(0, x_max_cm, approx_n_points)
-        n_points_fw = (x_range < fw_bz_split_point_cm).sum() + 1
-        n_points_bz = (x_range >= fw_bz_split_point_cm).sum() + 1
+    if fw_bz_split_point is not None:
+        x_range = np.linspace(0, x_max, approx_n_points)
+        n_points_fw = (x_range < fw_bz_split_point).sum() + 1
+        n_points_bz = (x_range >= fw_bz_split_point).sum() + 1
 
-        split_point = fw_bz_split_point_cm / 100
         if symmetric:
             return (
-                np.linspace(-x_max, -split_point, n_points_bz),
-                np.linspace(-split_point, split_point, n_points_fw * 2 - 1),
-                np.linspace(split_point, x_max, n_points_bz),
+                np.linspace(-x_max, -fw_bz_split_point, n_points_bz),
+                np.linspace(-fw_bz_split_point, fw_bz_split_point, n_points_fw * 2 - 1),
+                np.linspace(fw_bz_split_point, x_max, n_points_bz),
             )
         return (
-            np.linspace(0, split_point, n_points_fw),
-            np.linspace(split_point, x_max, n_points_bz),
+            np.linspace(0, fw_bz_split_point, n_points_fw),
+            np.linspace(fw_bz_split_point, x_max, n_points_bz),
         )
 
     if symmetric:
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index f406e01d90..dd9e9d99a4 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -9,7 +9,8 @@
 
 from process.exceptions import ProcessValidationError
 
-BARNS_CM2 = 1e-24
+BARNS_TO_CM2 = 1e-24
+BARNS_TO_M2 = 1e-28
 N_A = Avogadro
 N2N_Q_VALUE = ...
 _ATOMIC_MASS = {}
@@ -72,12 +73,12 @@ def calculate_average_macro_xs(
         Given in the format {'species': float(microscopic cross-section)}.
         Possible to have some missing values here.
     density:
-        Density of the medium, given in [g/cm^3]
+        Density of the medium, given in [kg/m^3]
 
     Returns
     -------
     :
-        macroscopic cross-section of the material.
+        macroscopic cross-section of the material. [m]
 
     Notes
     -----
@@ -105,7 +106,8 @@ def calculate_average_macro_xs(
     avg_mass_amu = sum(weighted_atomic_mass)
 
     # N_A/A * rho * sigma
-    return N_A / avg_mass_amu * density * (avg_sigma * BARNS_CM2)
+
+    return N_A / (avg_mass_amu/1000) * density * (avg_sigma * BARNS_TO_M2)
 
 
 def discretize_xs(
@@ -518,9 +520,6 @@ def __post_init__(self):
                 "Elastic up-scattering seems unlikely in this model! "
                 "Check if the group structure is chosen correctly?",
             )
-        self.sigma_t_cm = self.sigma_t / 100
-        self.sigma_s_cm = self.sigma_s / 100
-        self.sigma_in_cm = self.sigma_in / 100
 
     @property
     def n_groups(self):
@@ -577,7 +576,7 @@ def get_material_nuclear_data(
     cross-section :math:`\\Sigma_{s}` is the i-th element on the main diagonal of the
     macroscopic scattering cross-section matrix.
     """
-    density = material_density_data_bank[material]
+    density = material_density_data_bank[material]  # [kg/m^3]
     composition = material_composition_data_bank[material]
     avg_atomic_mass = get_avg_atomic_mass(composition)
     n_groups = len(group_structure) - 1

From d5081e37395ff4a7935fac4af160565f520152bf Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 20 Nov 2025 15:51:03 +0000
Subject: [PATCH 63/98] Updated regression test to use cgs.

---
 tests/regression/test_neutronics.py | 20 ++++++++++----------
 1 file changed, 10 insertions(+), 10 deletions(-)

diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 0224b825cf..90d20d4d1a 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -32,10 +32,10 @@ def test_one_group():
     )
     
     const = neutron_profile.integration_constants[0]  # alias to fit line width
-    assert np.isclose(const.fw_c, 80.5346770788), "c5"
-    assert np.isclose(const.fw_s, -76.5562120985), "c6"
-    assert np.isclose(const.bz_c, 60.6871656017), "c7"
-    assert np.isclose(const.bz_s, -60.7123696772), "c8"
+    assert np.isclose(const.fw_c[0], 80.5346770788), "c5"
+    assert np.isclose(const.fw_s[0], -76.5562120985), "c6"
+    assert np.isclose(const.bz_c[0], 60.6871656017), "c7"
+    assert np.isclose(const.bz_s[0], -60.7123696772), "c8"
 
     assert np.isclose(neutron_profile.neutron_flux_fw(x_fw), 48.72444)
     assert np.isclose(neutron_profile.neutron_flux_bz(x_fw), 48.72444)
@@ -48,10 +48,10 @@ def test_one_group():
     bz_removal = sigma_bz_t - sigma_bz_s - bz_material.sigma_in[0, 0]
     assert np.isclose(neutron_profile.flux,
         neutron_profile.neutron_current_escaped()
-        + fw_removal/100 * neutron_profile.integrated_flux_fw()
-        + bz_removal/100 * neutron_profile.integrated_flux_bz()
+        + fw_removal * neutron_profile.integrated_flux_fw()
+        + bz_removal * neutron_profile.integrated_flux_bz()
     ), "Conservation of neutrons"
-    
+
 def test_one_group_with_fission():
     """
     Regression test against Desmos snapshot with fission involved:
@@ -81,7 +81,7 @@ def test_one_group_with_fission():
     neutron_profile = NeutronFluxProfile(
         incoming_flux, x_fw, x_bz, fw_material, bz_material
     )
-    assert np.isclose(neutron_profile.l_bz_2[0], -58.2869567709**2)
+    assert np.isclose(neutron_profile.l_bz_2[0], -(58.2869567709/100)**2)
     assert np.isclose(neutron_profile.neutron_flux_at(-4.79675/100), 159.9434), "Minimum flux in FW"
     assert np.isclose(neutron_profile.neutron_flux_at(4.79675/100), 159.9434), "Minimum flux in FW"
     assert np.isclose(neutron_profile.neutron_flux_at(18.96382/100), 164.81245), "Maximum flux in BZ"
@@ -93,8 +93,8 @@ def test_one_group_with_fission():
     bz_removal = sigma_bz_t - sigma_bz_s - bz_material.sigma_in[0, 0]
     assert np.isclose(neutron_profile.flux,
         neutron_profile.neutron_current_escaped()
-        + fw_removal/100 * neutron_profile.integrated_flux_fw()
-        + bz_removal/100 * neutron_profile.integrated_flux_bz()
+        + fw_removal * neutron_profile.integrated_flux_fw()
+        + bz_removal * neutron_profile.integrated_flux_bz()
     ), "Conservation of neutrons"
 
 def test_two_groups():

From 0748180b40c5287ee5cbb3a487d4f0b67f5aadc0 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 20 Nov 2025 15:56:53 +0000
Subject: [PATCH 64/98] Updated unit-test for checking the number of methods
 present.

---
 tests/unit/test_neutronics.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index b99d434e9a..48f4c9ff83 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -75,10 +75,10 @@ def test_has_boundary_current():
 
 def test_has_reactions():
     """Test that the groupwise decorator has worked on the reactions methods."""
-    assert hasattr(NeutronFluxProfile, "groupwise_reaction_rate_fw")
-    assert hasattr(NeutronFluxProfile, "reaction_rate_fw")
-    assert hasattr(NeutronFluxProfile, "groupwise_reaction_rate_bz")
-    assert hasattr(NeutronFluxProfile, "reaction_rate_bz")
+    assert hasattr(NeutronFluxProfile, "groupwise_integrated_flux_fw")
+    assert hasattr(NeutronFluxProfile, "integrated_flux_fw")
+    assert hasattr(NeutronFluxProfile, "groupwise_integrated_flux_bz")
+    assert hasattr(NeutronFluxProfile, "integrated_flux_bz")
 
 
 def test_three_group():
@@ -89,7 +89,7 @@ def test_three_group():
     # 2. same L_1 and L_3 shoudl yield integration_constants[2].fw_c[0] and
     # integration_constants[2].fw_s[0] = 0.0
     # self.l_fw_2 == self.l_fw_2[n] case.
-    # 
+    #
 
 
 def test_two_group():

From 2ae85f848c3876fd471edfaf1a37f25dbc0d1b93 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Thu, 20 Nov 2025 15:57:08 +0000
Subject: [PATCH 65/98] Pre-commit ruff fix

---
 process/neutronics.py               | 220 +++++++++++++++++++---------
 process/neutronics_data.py          |   2 +-
 tests/regression/test_neutronics.py |  66 ++++++---
 3 files changed, 195 insertions(+), 93 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 6229e80fcd..4b606fa851 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -107,7 +107,9 @@ def get_diffusion_coefficient_and_length(
 
     transport_xs = total_xs - 2 / (3 * avg_atomic_mass) * scattering_xs
     diffusion_coef = 1 / 3 / transport_xs
-    diffusion_len_2 = diffusion_coef / (total_xs - scattering_xs - in_source_xs)
+    diffusion_len_2 = diffusion_coef / (
+        total_xs - scattering_xs - in_source_xs
+    )
     return diffusion_coef, diffusion_len_2
 
 
@@ -353,15 +355,13 @@ def solve_lowest_group(self) -> None:
             s_bz_mod = np.sin((self.extended_boundary[n] - x_fw) / l_bz)
             t_bz_mod = np.tan((self.extended_boundary[n] - x_fw) / l_bz)
 
-        fw_c_factor = - self.flux * (
-            l_fw / d_fw 
-            - np.exp(x_fw / l_fw) * (
-                (l_fw / d_fw) + (l_bz / d_bz) * t_bz_mod
-            )/(
-                c_fw + s_fw * t_bz_mod * (d_fw / l_fw) * (l_bz / d_bz)
-            )
+        fw_c_factor = -self.flux * (
+            l_fw / d_fw
+            - np.exp(x_fw / l_fw)
+            * ((l_fw / d_fw) + (l_bz / d_bz) * t_bz_mod)
+            / (c_fw + s_fw * t_bz_mod * (d_fw / l_fw) * (l_bz / d_bz))
         )
-        fw_s_factor = - self.flux * l_fw / d_fw
+        fw_s_factor = -self.flux * l_fw / d_fw
 
         bz_common_factor = (
             self.flux
@@ -406,10 +406,9 @@ def solve_group_n(self, n: int) -> None:
             )
         if n in self.integration_constants:
             return None  # skip if it has already been solved.
-        else:
-            # Parameter to be changed later, to allow solving non-down-scatter
-            # only systems by iterating.
-            first_iteration = True 
+        # Parameter to be changed later, to allow solving non-down-scatter
+        # only systems by iterating.
+        first_iteration = True
         self.d_fw[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
             self.fw_mat.avg_atomic_mass,
             self.fw_mat.sigma_t[n],
@@ -447,19 +446,31 @@ def solve_group_n(self, n: int) -> None:
             else:
                 scale_factor_bz = (l_bz_2 * self.l_bz_2[g]) / d_bz / diff_bz
             self.integration_constants[n].fw_c.append(
-                sum(src_fw[i, n] * self.integration_constants[i].fw_c[g] for i in range(g, n))
+                sum(
+                    src_fw[i, n] * self.integration_constants[i].fw_c[g]
+                    for i in range(g, n)
+                )
                 * scale_factor_fw
             )
             self.integration_constants[n].fw_s.append(
-                sum(src_fw[i, n] * self.integration_constants[i].fw_s[g] for i in range(g, n))
+                sum(
+                    src_fw[i, n] * self.integration_constants[i].fw_s[g]
+                    for i in range(g, n)
+                )
                 * scale_factor_fw
             )
             self.integration_constants[n].bz_c.append(
-                sum(src_bz[i, n] * self.integration_constants[i].bz_c[g] for i in range(g, n))
+                sum(
+                    src_bz[i, n] * self.integration_constants[i].bz_c[g]
+                    for i in range(g, n)
+                )
                 * scale_factor_bz
             )
             self.integration_constants[n].bz_s.append(
-                sum(src_bz[i, n] * self.integration_constants[i].bz_s[g] for i in range(g, n))
+                sum(
+                    src_bz[i, n] * self.integration_constants[i].bz_s[g]
+                    for i in range(g, n)
+                )
                 * scale_factor_bz
             )
 
@@ -473,27 +484,47 @@ def solve_group_n(self, n: int) -> None:
         self.integration_constants[n].bz_s.append(bz_s_factor_guess)
 
         def _set_constants(input_vector: Iterable[float]):
-            _ic_n.fw_c[n] = input_vector[0]
-            _ic_n.fw_s[n] = input_vector[1]
-            _ic_n.bz_c[n] = input_vector[2]
-            _ic_n.bz_s[n] = input_vector[3]
+            self.integration_constants[n].fw_c[n] = input_vector[0]
+            self.integration_constants[n].fw_s[n] = input_vector[1]
+            self.integration_constants[n].bz_c[n] = input_vector[2]
+            self.integration_constants[n].bz_s[n] = input_vector[3]
 
         def _evaluate_fit():
-            flux_continuity = self.groupwise_neutron_flux_fw(n, self.x_fw) - self.groupwise_neutron_flux_bz(n, self.x_fw)
-            flux_at_boundary = self.groupwise_neutron_flux_bz(n, self.extended_boundary[n])
-            current_continuity = self.groupwise_neutron_current_fw(n, self.x_fw) - self.groupwise_neutron_current_bz(n, self.x_fw)
+            flux_continuity = self.groupwise_neutron_flux_fw(
+                n, self.x_fw
+            ) - self.groupwise_neutron_flux_bz(n, self.x_fw)
+            flux_at_boundary = self.groupwise_neutron_flux_bz(
+                n, self.extended_boundary[n]
+            )
+            current_continuity = self.groupwise_neutron_current_fw(
+                n, self.x_fw
+            ) - self.groupwise_neutron_current_bz(n, self.x_fw)
             influx_fw, influx_bz = 0.0, 0.0
             for g in range(self.n_groups):
-                if g>n and not first_iteration:
+                if g > n and not first_iteration:
                     if not self.fw_mat.downscatter_only:
-                        influx_fw += (self.fw_mat.sigma_s[g, n] + self.fw_mat.sigma_in[g, n]) * self.groupwise_integrated_flux_fw(g)
+                        influx_fw += (
+                            self.fw_mat.sigma_s[g, n]
+                            + self.fw_mat.sigma_in[g, n]
+                        ) * self.groupwise_integrated_flux_fw(g)
                     if not self.bz_mat.downscatter_only:
-                        influx_bz += (self.bz_mat.sigma_s[g, n] + self.bz_mat.sigma_in[g, n]) * self.groupwise_integrated_flux_bz(g)
-                elif g<=n:
-                    influx_fw += (self.fw_mat.sigma_s[g, n] + self.fw_mat.sigma_in[g, n]) * self.groupwise_integrated_flux_fw(g)
-                    influx_bz += (self.bz_mat.sigma_s[g, n] + self.bz_mat.sigma_in[g, n]) * self.groupwise_integrated_flux_bz(g)
-            removal_fw = self.fw_mat.sigma_t[n] * self.groupwise_integrated_flux_fw(n)
-            removal_bz = self.bz_mat.sigma_t[n] * self.groupwise_integrated_flux_bz(n)
+                        influx_bz += (
+                            self.bz_mat.sigma_s[g, n]
+                            + self.bz_mat.sigma_in[g, n]
+                        ) * self.groupwise_integrated_flux_bz(g)
+                elif g <= n:
+                    influx_fw += (
+                        self.fw_mat.sigma_s[g, n] + self.fw_mat.sigma_in[g, n]
+                    ) * self.groupwise_integrated_flux_fw(g)
+                    influx_bz += (
+                        self.bz_mat.sigma_s[g, n] + self.bz_mat.sigma_in[g, n]
+                    ) * self.groupwise_integrated_flux_bz(g)
+            removal_fw = self.fw_mat.sigma_t[
+                n
+            ] * self.groupwise_integrated_flux_fw(n)
+            removal_bz = self.bz_mat.sigma_t[
+                n
+            ] * self.groupwise_integrated_flux_bz(n)
             # conservation_fw = influx_fw - removal_fw - current_fw2bz
             # conservation_bz = current_fw2bz + influx_bz - removal_bz - escaped_bz
             total_neutron_conservation = (
@@ -501,7 +532,7 @@ def _evaluate_fit():
                 + influx_bz
                 - removal_fw
                 - removal_bz
-                - self.groupwise_neutron_current_escaped(_ic_n, self, n)
+                - self.groupwise_neutron_current_escaped(n)
             )
             return np.array([
                 flux_continuity,
@@ -514,12 +545,15 @@ def objective(four_integration_constants_vector):
             _set_constants(four_integration_constants_vector)
             return _evaluate_fit()
 
-        results = optimize.root(objective, x0=[
-            fw_c_factor_guess,
-            fw_s_factor_guess,
-            bz_c_factor_guess,
-            bz_s_factor_guess,
-        ])
+        results = optimize.root(
+            objective,
+            x0=[
+                fw_c_factor_guess,
+                fw_s_factor_guess,
+                bz_c_factor_guess,
+                bz_s_factor_guess,
+            ],
+        )
         _set_constants(results.res)
         return None
 
@@ -549,14 +583,18 @@ def groupwise_neutron_flux_fw(
         """
         trig_funcs = []
         for g in range(n + 1):
-            if self.l_fw_2[g]>0:
+            if self.l_fw_2[g] > 0:
                 c, s = np.cosh, np.sinh
                 l_fw = np.sqrt(self.l_fw_2[g])
             else:
                 c, s = np.cos, np.sin
                 l_fw = np.sqrt(-self.l_fw_2[g])
-            trig_funcs.append(self.integration_constants[n].fw_c[g] * c(abs(x) / l_fw))
-            trig_funcs.append(self.integration_constants[n].fw_s[g] * s(abs(x) / l_fw))
+            trig_funcs.append(
+                self.integration_constants[n].fw_c[g] * c(abs(x) / l_fw)
+            )
+            trig_funcs.append(
+                self.integration_constants[n].fw_s[g] * s(abs(x) / l_fw)
+            )
         return np.sum(trig_funcs, axis=0)
 
     @summarize_values
@@ -584,14 +622,18 @@ def groupwise_neutron_flux_bz(
         """
         trig_funcs = []
         for g in range(n + 1):
-            if self.l_bz_2[g]>0:
+            if self.l_bz_2[g] > 0:
                 c, s = np.cosh, np.sinh
                 l_bz = np.sqrt(self.l_bz_2[g])
             else:
                 c, s = np.cos, np.sin
                 l_bz = np.sqrt(-self.l_bz_2[g])
-            trig_funcs.append(self.integration_constants[n].bz_c[g] * c(abs(x) / l_bz))
-            trig_funcs.append(self.integration_constants[n].bz_s[g] * s(abs(x) / l_bz))
+            trig_funcs.append(
+                self.integration_constants[n].bz_c[g] * c(abs(x) / l_bz)
+            )
+            trig_funcs.append(
+                self.integration_constants[n].bz_s[g] * s(abs(x) / l_bz)
+            )
         return np.sum(trig_funcs, axis=0)
 
     @summarize_values
@@ -651,21 +693,29 @@ def groupwise_integrated_flux_fw(self, n: int) -> float:
         """
         integrals = []
         for g in range(n + 1):
-            if self.l_fw_2[g]>0:
+            if self.l_fw_2[g] > 0:
                 l_fw = np.sqrt(self.l_fw_2[g])
                 integrals.append(
-                    l_fw * self.integration_constants[n].fw_c[g] * np.sinh(self.x_fw / l_fw)
+                    l_fw
+                    * self.integration_constants[n].fw_c[g]
+                    * np.sinh(self.x_fw / l_fw)
                 )
                 integrals.append(
-                    l_fw * self.integration_constants[n].fw_s[g] * (np.cosh(self.x_fw / l_fw) - 1)
+                    l_fw
+                    * self.integration_constants[n].fw_s[g]
+                    * (np.cosh(self.x_fw / l_fw) - 1)
                 )
             else:
                 l_fw = np.sqrt(-self.l_fw_2[g])
                 integrals.append(
-                    l_fw * self.integration_constants[n].fw_c[g] * np.sin(self.x_fw / l_fw)
+                    l_fw
+                    * self.integration_constants[n].fw_c[g]
+                    * np.sin(self.x_fw / l_fw)
                 )
                 integrals.append(
-                    l_fw * self.integration_constants[n].fw_s[g] * (1 - np.cos(self.x_fw / l_fw))
+                    l_fw
+                    * self.integration_constants[n].fw_s[g]
+                    * (1 - np.cos(self.x_fw / l_fw))
                 )
 
         return np.sum(integrals, axis=0)
@@ -685,71 +735,95 @@ def groupwise_integrated_flux_bz(self, n: int) -> float:
         """
         integrals = []
         for g in range(n + 1):
-            if self.l_bz_2[g]>0:
+            if self.l_bz_2[g] > 0:
                 l_bz = np.sqrt(self.l_bz_2[g])
                 integrals.append(
-                    l_bz * self.integration_constants[n].bz_c[g] *
-                    (np.sinh(self.x_bz / l_bz) - np.sinh(self.x_fw / l_bz))
+                    l_bz
+                    * self.integration_constants[n].bz_c[g]
+                    * (np.sinh(self.x_bz / l_bz) - np.sinh(self.x_fw / l_bz))
                 )
                 integrals.append(
-                    l_bz * self.integration_constants[n].bz_s[g] *
-                    (np.cosh(self.x_bz / l_bz) - np.cosh(self.x_fw / l_bz))
+                    l_bz
+                    * self.integration_constants[n].bz_s[g]
+                    * (np.cosh(self.x_bz / l_bz) - np.cosh(self.x_fw / l_bz))
                 )
             else:
                 l_bz = np.sqrt(-self.l_bz_2[g])
                 integrals.append(
-                    l_bz * self.integration_constants[n].bz_c[g] *
-                    (np.sin(self.x_bz / l_bz) - np.sin(self.x_fw / l_bz))
+                    l_bz
+                    * self.integration_constants[n].bz_c[g]
+                    * (np.sin(self.x_bz / l_bz) - np.sin(self.x_fw / l_bz))
                 )
                 integrals.append(
-                    -l_bz * self.integration_constants[n].bz_s[g] *
-                    (np.cos(self.x_bz / l_bz) - np.cos(self.x_fw / l_bz))
+                    -l_bz
+                    * self.integration_constants[n].bz_s[g]
+                    * (np.cos(self.x_bz / l_bz) - np.cos(self.x_fw / l_bz))
                 )
         return np.sum(integrals, axis=0)
 
     @summarize_values
-    def groupwise_neutron_current_fw(self, n: int, x: float | npt.NDArray) -> float:
+    def groupwise_neutron_current_fw(
+        self, n: int, x: float | npt.NDArray
+    ) -> float:
         """Get the neutron current (in the outward direction) in the fw"""
         differentials = []
         for g in range(n + 1):
-            if self.l_fw_2[g]>0:
+            if self.l_fw_2[g] > 0:
                 l_fw = np.sqrt(self.l_fw_2[g])
                 differentials.append(
-                    self.integration_constants[n].fw_c[g] / l_fw * np.sinh(x / l_fw)
+                    self.integration_constants[n].fw_c[g]
+                    / l_fw
+                    * np.sinh(x / l_fw)
                 )
                 differentials.append(
-                    self.integration_constants[n].fw_s[g] / l_fw * np.cosh(x / l_fw)
+                    self.integration_constants[n].fw_s[g]
+                    / l_fw
+                    * np.cosh(x / l_fw)
                 )
             else:
                 l_fw = np.sqrt(-self.l_fw_2[g])
                 differentials.append(
-                    - self.integration_constants[n].fw_c[g] / l_fw * np.sin(x / l_fw)
+                    -self.integration_constants[n].fw_c[g]
+                    / l_fw
+                    * np.sin(x / l_fw)
                 )
                 differentials.append(
-                    self.integration_constants[n].fw_s[g] / l_fw * np.cos(x / l_fw)
+                    self.integration_constants[n].fw_s[g]
+                    / l_fw
+                    * np.cos(x / l_fw)
                 )
         return -self.d_fw[n] * np.sum(differentials, axis=0)
 
     @summarize_values
-    def groupwise_neutron_current_bz(self, n: int, x: float | npt.NDArray) -> float:
+    def groupwise_neutron_current_bz(
+        self, n: int, x: float | npt.NDArray
+    ) -> float:
         """Get the neutron current (in the outward direction) in the bz."""
         differentials = []
         for g in range(n + 1):
-            if self.l_bz_2[g]>0:
+            if self.l_bz_2[g] > 0:
                 l_bz = np.sqrt(self.l_bz_2[g])
                 differentials.append(
-                    self.integration_constants[n].bz_c[g] / l_bz * np.sinh(x / l_bz)
+                    self.integration_constants[n].bz_c[g]
+                    / l_bz
+                    * np.sinh(x / l_bz)
                 )
                 differentials.append(
-                    self.integration_constants[n].bz_s[g] / l_bz * np.cosh(x / l_bz)
+                    self.integration_constants[n].bz_s[g]
+                    / l_bz
+                    * np.cosh(x / l_bz)
                 )
             else:
                 l_bz = np.sqrt(-self.l_bz_2[g])
                 differentials.append(
-                    - self.integration_constants[n].bz_c[g] / l_bz * np.sin(x / l_bz)
+                    -self.integration_constants[n].bz_c[g]
+                    / l_bz
+                    * np.sin(x / l_bz)
                 )
                 differentials.append(
-                    self.integration_constants[n].bz_s[g] / l_bz * np.cos(x / l_bz)
+                    self.integration_constants[n].bz_s[g]
+                    / l_bz
+                    * np.cos(x / l_bz)
                 )
         return -self.d_bz[n] * np.sum(differentials, axis=0)
 
@@ -975,7 +1049,9 @@ def _generate_x_range(
         if symmetric:
             return (
                 np.linspace(-x_max, -fw_bz_split_point, n_points_bz),
-                np.linspace(-fw_bz_split_point, fw_bz_split_point, n_points_fw * 2 - 1),
+                np.linspace(
+                    -fw_bz_split_point, fw_bz_split_point, n_points_fw * 2 - 1
+                ),
                 np.linspace(fw_bz_split_point, x_max, n_points_bz),
             )
         return (
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index dd9e9d99a4..aabc97b60b 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -107,7 +107,7 @@ def calculate_average_macro_xs(
 
     # N_A/A * rho * sigma
 
-    return N_A / (avg_mass_amu/1000) * density * (avg_sigma * BARNS_TO_M2)
+    return N_A / (avg_mass_amu / 1000) * density * (avg_sigma * BARNS_TO_M2)
 
 
 def discretize_xs(
diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 90d20d4d1a..4550b0aca2 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -1,9 +1,9 @@
-import pytest
 import numpy as np
 
 from process.neutronics import NeutronFluxProfile
 from process.neutronics_data import MaterialMacroInfo
 
+
 def test_one_group():
     """
     Regression test against Desmos snapshot:
@@ -16,21 +16,25 @@ def test_one_group():
     sigma_fw_t = 1 / mfp_fw_t  # [1/m]
     sigma_fw_s = 1 / mfp_fw_s  # [1/m]
     a_fw = 52
-    fw_material = MaterialMacroInfo(dummy, a_fw, [sigma_fw_t], [[sigma_fw_s]], name="fw")
+    fw_material = MaterialMacroInfo(
+        dummy, a_fw, [sigma_fw_t], [[sigma_fw_s]], name="fw"
+    )
 
     mfp_bz_s = 97 * 0.01  # [m]
     mfp_bz_t = 35.8 * 0.01  # [m]
     sigma_bz_s = 1 / mfp_bz_s  # [1/m]
     sigma_bz_t = 1 / mfp_bz_t  # [1/m]
     a_bz = 71
-    bz_material = MaterialMacroInfo(dummy, a_bz, [sigma_bz_t], [[sigma_bz_s]], name="bz")
+    bz_material = MaterialMacroInfo(
+        dummy, a_bz, [sigma_bz_t], [[sigma_bz_s]], name="bz"
+    )
 
     x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
     incoming_flux = 41
     neutron_profile = NeutronFluxProfile(
         incoming_flux, x_fw, x_bz, fw_material, bz_material
     )
-    
+
     const = neutron_profile.integration_constants[0]  # alias to fit line width
     assert np.isclose(const.fw_c[0], 80.5346770788), "c5"
     assert np.isclose(const.fw_s[0], -76.5562120985), "c6"
@@ -46,12 +50,14 @@ def test_one_group():
 
     fw_removal = sigma_fw_t - sigma_fw_s - fw_material.sigma_in[0, 0]
     bz_removal = sigma_bz_t - sigma_bz_s - bz_material.sigma_in[0, 0]
-    assert np.isclose(neutron_profile.flux,
+    assert np.isclose(
+        neutron_profile.flux,
         neutron_profile.neutron_current_escaped()
         + fw_removal * neutron_profile.integrated_flux_fw()
-        + bz_removal * neutron_profile.integrated_flux_bz()
+        + bz_removal * neutron_profile.integrated_flux_bz(),
     ), "Conservation of neutrons"
 
+
 def test_one_group_with_fission():
     """
     Regression test against Desmos snapshot with fission involved:
@@ -64,7 +70,9 @@ def test_one_group_with_fission():
     sigma_fw_t = 1 / mfp_fw_t  # [1/m]
     sigma_fw_s = 1 / mfp_fw_s  # [1/m]
     a_fw = 52
-    fw_material = MaterialMacroInfo(dummy, a_fw, [sigma_fw_t], [[sigma_fw_s]], name="fw")
+    fw_material = MaterialMacroInfo(
+        dummy, a_fw, [sigma_fw_t], [[sigma_fw_s]], name="fw"
+    )
 
     mfp_bz_s = 97 * 0.01  # [m]
     mfp_bz_t = 35.8 * 0.01  # [m]
@@ -74,31 +82,49 @@ def test_one_group_with_fission():
 
     g = 1.2
     nu_sigma_bz_f = g * (sigma_bz_t - sigma_bz_s)
-    bz_material = MaterialMacroInfo(dummy, a_bz, [sigma_bz_t], [[sigma_bz_s]], [[nu_sigma_bz_f]], name="bz")
+    bz_material = MaterialMacroInfo(
+        dummy, a_bz, [sigma_bz_t], [[sigma_bz_s]], [[nu_sigma_bz_f]], name="bz"
+    )
 
     x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
     incoming_flux = 41
     neutron_profile = NeutronFluxProfile(
         incoming_flux, x_fw, x_bz, fw_material, bz_material
     )
-    assert np.isclose(neutron_profile.l_bz_2[0], -(58.2869567709/100)**2)
-    assert np.isclose(neutron_profile.neutron_flux_at(-4.79675/100), 159.9434), "Minimum flux in FW"
-    assert np.isclose(neutron_profile.neutron_flux_at(4.79675/100), 159.9434), "Minimum flux in FW"
-    assert np.isclose(neutron_profile.neutron_flux_at(18.96382/100), 164.81245), "Maximum flux in BZ"
-    assert np.isclose(neutron_profile.neutron_flux_at(-18.96382/100), 164.81245), "Maximum flux in BZ"
-    assert np.isclose(neutron_profile.neutron_flux_fw(x_fw), neutron_profile.neutron_flux_bz(x_fw)), "Flux continuity assurance"
-    assert np.isclose(neutron_profile.neutron_current_fw2bz(), -7.6275782637960745), "Negative current because BZ (breeding) is backflowing into the FW"
-    assert np.isclose(neutron_profile.neutron_current_escaped(), 30.665951670177186), "positive escaped current."
+    assert np.isclose(neutron_profile.l_bz_2[0], -((58.2869567709 / 100) ** 2))
+    assert np.isclose(
+        neutron_profile.neutron_flux_at(-4.79675 / 100), 159.9434
+    ), "Minimum flux in FW"
+    assert np.isclose(
+        neutron_profile.neutron_flux_at(4.79675 / 100), 159.9434
+    ), "Minimum flux in FW"
+    assert np.isclose(
+        neutron_profile.neutron_flux_at(18.96382 / 100), 164.81245
+    ), "Maximum flux in BZ"
+    assert np.isclose(
+        neutron_profile.neutron_flux_at(-18.96382 / 100), 164.81245
+    ), "Maximum flux in BZ"
+    assert np.isclose(
+        neutron_profile.neutron_flux_fw(x_fw),
+        neutron_profile.neutron_flux_bz(x_fw),
+    ), "Flux continuity assurance"
+    assert np.isclose(
+        neutron_profile.neutron_current_fw2bz(), -7.6275782637960745
+    ), "Negative current because BZ (breeding) is backflowing into the FW"
+    assert np.isclose(
+        neutron_profile.neutron_current_escaped(), 30.665951670177186
+    ), "positive escaped current."
     fw_removal = sigma_fw_t - sigma_fw_s - fw_material.sigma_in[0, 0]
     bz_removal = sigma_bz_t - sigma_bz_s - bz_material.sigma_in[0, 0]
-    assert np.isclose(neutron_profile.flux,
+    assert np.isclose(
+        neutron_profile.flux,
         neutron_profile.neutron_current_escaped()
         + fw_removal * neutron_profile.integrated_flux_fw()
-        + bz_removal * neutron_profile.integrated_flux_bz()
+        + bz_removal * neutron_profile.integrated_flux_bz(),
     ), "Conservation of neutrons"
 
+
 def test_two_groups():
     """
-    Same group n=0 values as test_one_group. Second group can have a massive removal cross-section 
+    Same group n=0 values as test_one_group. Second group can have a massive removal cross-section
     """
-

From 5450d0bf7a188f90670e5c79e679d7e6e3414e5c Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 21 Nov 2025 09:56:02 +0000
Subject: [PATCH 66/98] Renamed the integration_constants to coefficients
 (because they're no longer obtained by integration)

---
 process/neutronics.py               | 123 ++++++++++++++--------------
 tests/regression/test_neutronics.py |   2 +-
 tests/unit/test_neutronics.py       |   4 +-
 3 files changed, 65 insertions(+), 64 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 4b606fa851..b2c443e6e9 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -129,14 +129,14 @@ def extrapolation_length(diffusion_coefficient: float) -> float:
 
 
 @dataclass
-class IntegrationConstants:
+class Coefficients:
     """
     Inside each material, there are two new hyperbolic trig funcs per group, i.e.
     group n=0 has cosh(x/L[0]) and sinh(x/L[0]),
     group n=1 has cosh(x/L[0]), sinh(x/L[0]), cosh(x/L[1]) and sinh(x/L[1]),
     etc.
-    To get the neutron flux, each trig func has to be scaled by an integration
-    constant. E.g.
+    To get the neutron flux, each trig func has to be scaled by a coeffient.
+    E.g.
     group n=0: fw: fw_c[0][0] * cosh(x/L[0]) + fw_s[0][0] * sinh(x/L[0])
     group n=1: fw: fw_c[1][0] * cosh(x/L[0]) + fw_c[1][1] * cosh(x/L[1])
                 + fw_s[1][0] * sinh(x/L[0]) + fw_s[1][1] * sinh(x/L[1])
@@ -148,13 +148,14 @@ class IntegrationConstants:
     bz_c: Iterable[float]
     bz_s: Iterable[float]
 
-    def validate_length(self, expected_length: int):
+    def validate_length(self, exp_len: int, parent_name: str):
         """Validate that all fields has the correct length."""
         for const_name, const_value in asdict(self).items():
-            if len(const_value) != expected_length:
+            if len(const_value) != exp_len:
                 raise ProcessValueError(
-                    f"Expected {const_name} to have len=={expected_length}, "
-                    f"got {len(const_value)} instead."
+                    f"{parent_name}'s [{exp_len-1}]-th item is expected to "
+                    "have .{const_name} of length={exp_len}, but instead got "
+                    f"{const_value}."
                 )
 
 
@@ -178,7 +179,7 @@ def __init__(self, populating_method: Callable[[int], None], name: str):
             dictionary.
         """
         self._dict = {}
-        self._name = name
+        self.name = name
         self._attempting_to_access = set()
         self.populating_method = populating_method
 
@@ -186,8 +187,8 @@ def __getitem__(self, i: int):
         """Check if index i is in the dictionary or not. If not, populate it."""
         if i in self._attempting_to_access:
             raise RecursionError(
-                f"retrieving the value of {self._name}[{i}] requires the "
-                f"value of {self._name}[{i}]."
+                f"retrieving the value of {self.name}[{i}] requires the "
+                f"value of {self.name}[{i}]."
             )
         if i not in self._dict:
             self._attempting_to_access.add(i)
@@ -207,7 +208,7 @@ def __contains__(self, i: int):
     def __setitem__(self, i: int, value: float):
         """Check if dict i is in the index or not."""
         if hasattr(value, "validate_length"):
-            value.validate_length(i + 1)
+            value.validate_length(i + 1, parent_name=self.name)
         self._dict[i] = value
         self._attempting_to_access.discard(i)
 
@@ -256,8 +257,8 @@ def __init__(
         group_structure:
             energy bin edges, 1D array of len = n_groups+1
 
-        integration_constants:
-            Integration constants that determine the flux shape (and therefore
+        coefficients:
+            Coefficients that determine the flux shape (and therefore
             reaction rates and neutron current) of each group. A set of four
             constants, two for fw and two for bz; each with unit: [m^-2 s^-1]
         l_fw_2:
@@ -294,8 +295,8 @@ def __init__(
                 "must have the same group structure!"
             )
 
-        self.integration_constants = AutoPopulatingDict(
-            self.solve_group_n, "integration_constants"
+        self.coefficients = AutoPopulatingDict(
+            self.solve_group_n, "coefficients"
         )
         # diffusion lengths squared
         self.l_fw_2 = AutoPopulatingDict(self.solve_group_n, "l_fw_2")
@@ -310,11 +311,11 @@ def solve_lowest_group(self) -> None:
         """
         Solve the highest-energy (lowest-lethargy)-group's neutron diffusion equation.
         Store the solved constants in self.extended_boundary[0], self.l_fw_2[0],
-        self.l_bz_2[0], and self.integration_constants[0].
-        integration_constants have units of [m^-2 s^-1].
+        self.l_bz_2[0], and self.coefficients[0].
+        coefficients have units of [m^-2 s^-1].
         """
         n = 0
-        if n in self.integration_constants:
+        if n in self.coefficients:
             return  # skip if it has already been solved.
         self.d_fw[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
             self.fw_mat.avg_atomic_mass,
@@ -372,7 +373,7 @@ def solve_lowest_group(self) -> None:
         bz_c_factor = bz_common_factor * s_bz
         bz_s_factor = -bz_common_factor * c_bz
 
-        self.integration_constants[n] = IntegrationConstants(
+        self.coefficients[n] = Coefficients(
             [fw_c_factor], [fw_s_factor], [bz_c_factor], [bz_s_factor]
         )
         return
@@ -381,7 +382,7 @@ def solve_group_n(self, n: int) -> None:
         """
         Solve the n-th group of neutron's diffusion equation, where n<=n_groups-1.
         Store the solved constants in self.extended_boundary[n-1], self.l_fw_2[n-1],
-        self.l_bz_2[n-1], and self.integration_constants[n-1].
+        self.l_bz_2[n-1], and self.coefficients[n-1].
 
         Parameters
         ----------
@@ -398,13 +399,13 @@ def solve_group_n(self, n: int) -> None:
             return self.solve_lowest_group()
         # ensure all lower groups are solved.
         for k in range(n):
-            if k not in self.integration_constants:
+            if k not in self.coefficients:
                 self.solve_group_n(k)
         if not (self.fw_mat.downscatter_only and self.bz_mat.downscatter_only):
             raise NotImplementedError(
                 "Will implement solve_group_n in a loop later..."
             )
-        if n in self.integration_constants:
+        if n in self.coefficients:
             return None  # skip if it has already been solved.
         # Parameter to be changed later, to allow solving non-down-scatter
         # only systems by iterating.
@@ -431,7 +432,7 @@ def solve_group_n(self, n: int) -> None:
         src_fw = self.fw_mat.sigma_s + self.fw_mat.sigma_in
         src_bz = self.bz_mat.sigma_s + self.bz_mat.sigma_in
 
-        self.integration_constants[n] = IntegrationConstants([], [], [], [])
+        self.coefficients[n] = Coefficients([], [], [], [])
         for g in range(n):
             # if the characteristic length of group [g] coincides with the
             # characteristic length of group [n], then that particular
@@ -445,30 +446,30 @@ def solve_group_n(self, n: int) -> None:
                 scale_factor_bz = 0.0
             else:
                 scale_factor_bz = (l_bz_2 * self.l_bz_2[g]) / d_bz / diff_bz
-            self.integration_constants[n].fw_c.append(
+            self.coefficients[n].fw_c.append(
                 sum(
-                    src_fw[i, n] * self.integration_constants[i].fw_c[g]
+                    src_fw[i, n] * self.coefficients[i].fw_c[g]
                     for i in range(g, n)
                 )
                 * scale_factor_fw
             )
-            self.integration_constants[n].fw_s.append(
+            self.coefficients[n].fw_s.append(
                 sum(
-                    src_fw[i, n] * self.integration_constants[i].fw_s[g]
+                    src_fw[i, n] * self.coefficients[i].fw_s[g]
                     for i in range(g, n)
                 )
                 * scale_factor_fw
             )
-            self.integration_constants[n].bz_c.append(
+            self.coefficients[n].bz_c.append(
                 sum(
-                    src_bz[i, n] * self.integration_constants[i].bz_c[g]
+                    src_bz[i, n] * self.coefficients[i].bz_c[g]
                     for i in range(g, n)
                 )
                 * scale_factor_bz
             )
-            self.integration_constants[n].bz_s.append(
+            self.coefficients[n].bz_s.append(
                 sum(
-                    src_bz[i, n] * self.integration_constants[i].bz_s[g]
+                    src_bz[i, n] * self.coefficients[i].bz_s[g]
                     for i in range(g, n)
                 )
                 * scale_factor_bz
@@ -478,16 +479,16 @@ def solve_group_n(self, n: int) -> None:
         fw_s_factor_guess = 0.0
         bz_c_factor_guess = 0.0
         bz_s_factor_guess = 0.0
-        self.integration_constants[n].fw_c.append(fw_c_factor_guess)
-        self.integration_constants[n].fw_s.append(fw_s_factor_guess)
-        self.integration_constants[n].bz_c.append(bz_c_factor_guess)
-        self.integration_constants[n].bz_s.append(bz_s_factor_guess)
+        self.coefficients[n].fw_c.append(fw_c_factor_guess)
+        self.coefficients[n].fw_s.append(fw_s_factor_guess)
+        self.coefficients[n].bz_c.append(bz_c_factor_guess)
+        self.coefficients[n].bz_s.append(bz_s_factor_guess)
 
         def _set_constants(input_vector: Iterable[float]):
-            self.integration_constants[n].fw_c[n] = input_vector[0]
-            self.integration_constants[n].fw_s[n] = input_vector[1]
-            self.integration_constants[n].bz_c[n] = input_vector[2]
-            self.integration_constants[n].bz_s[n] = input_vector[3]
+            self.coefficients[n].fw_c[n] = input_vector[0]
+            self.coefficients[n].fw_s[n] = input_vector[1]
+            self.coefficients[n].bz_c[n] = input_vector[2]
+            self.coefficients[n].bz_s[n] = input_vector[3]
 
         def _evaluate_fit():
             flux_continuity = self.groupwise_neutron_flux_fw(
@@ -541,8 +542,8 @@ def _evaluate_fit():
                 total_neutron_conservation,
             ])
 
-        def objective(four_integration_constants_vector):
-            _set_constants(four_integration_constants_vector)
+        def objective(four_coefficients_vector):
+            _set_constants(four_coefficients_vector)
             return _evaluate_fit()
 
         results = optimize.root(
@@ -590,10 +591,10 @@ def groupwise_neutron_flux_fw(
                 c, s = np.cos, np.sin
                 l_fw = np.sqrt(-self.l_fw_2[g])
             trig_funcs.append(
-                self.integration_constants[n].fw_c[g] * c(abs(x) / l_fw)
+                self.coefficients[n].fw_c[g] * c(abs(x) / l_fw)
             )
             trig_funcs.append(
-                self.integration_constants[n].fw_s[g] * s(abs(x) / l_fw)
+                self.coefficients[n].fw_s[g] * s(abs(x) / l_fw)
             )
         return np.sum(trig_funcs, axis=0)
 
@@ -629,10 +630,10 @@ def groupwise_neutron_flux_bz(
                 c, s = np.cos, np.sin
                 l_bz = np.sqrt(-self.l_bz_2[g])
             trig_funcs.append(
-                self.integration_constants[n].bz_c[g] * c(abs(x) / l_bz)
+                self.coefficients[n].bz_c[g] * c(abs(x) / l_bz)
             )
             trig_funcs.append(
-                self.integration_constants[n].bz_s[g] * s(abs(x) / l_bz)
+                self.coefficients[n].bz_s[g] * s(abs(x) / l_bz)
             )
         return np.sum(trig_funcs, axis=0)
 
@@ -697,24 +698,24 @@ def groupwise_integrated_flux_fw(self, n: int) -> float:
                 l_fw = np.sqrt(self.l_fw_2[g])
                 integrals.append(
                     l_fw
-                    * self.integration_constants[n].fw_c[g]
+                    * self.coefficients[n].fw_c[g]
                     * np.sinh(self.x_fw / l_fw)
                 )
                 integrals.append(
                     l_fw
-                    * self.integration_constants[n].fw_s[g]
+                    * self.coefficients[n].fw_s[g]
                     * (np.cosh(self.x_fw / l_fw) - 1)
                 )
             else:
                 l_fw = np.sqrt(-self.l_fw_2[g])
                 integrals.append(
                     l_fw
-                    * self.integration_constants[n].fw_c[g]
+                    * self.coefficients[n].fw_c[g]
                     * np.sin(self.x_fw / l_fw)
                 )
                 integrals.append(
                     l_fw
-                    * self.integration_constants[n].fw_s[g]
+                    * self.coefficients[n].fw_s[g]
                     * (1 - np.cos(self.x_fw / l_fw))
                 )
 
@@ -739,24 +740,24 @@ def groupwise_integrated_flux_bz(self, n: int) -> float:
                 l_bz = np.sqrt(self.l_bz_2[g])
                 integrals.append(
                     l_bz
-                    * self.integration_constants[n].bz_c[g]
+                    * self.coefficients[n].bz_c[g]
                     * (np.sinh(self.x_bz / l_bz) - np.sinh(self.x_fw / l_bz))
                 )
                 integrals.append(
                     l_bz
-                    * self.integration_constants[n].bz_s[g]
+                    * self.coefficients[n].bz_s[g]
                     * (np.cosh(self.x_bz / l_bz) - np.cosh(self.x_fw / l_bz))
                 )
             else:
                 l_bz = np.sqrt(-self.l_bz_2[g])
                 integrals.append(
                     l_bz
-                    * self.integration_constants[n].bz_c[g]
+                    * self.coefficients[n].bz_c[g]
                     * (np.sin(self.x_bz / l_bz) - np.sin(self.x_fw / l_bz))
                 )
                 integrals.append(
                     -l_bz
-                    * self.integration_constants[n].bz_s[g]
+                    * self.coefficients[n].bz_s[g]
                     * (np.cos(self.x_bz / l_bz) - np.cos(self.x_fw / l_bz))
                 )
         return np.sum(integrals, axis=0)
@@ -771,24 +772,24 @@ def groupwise_neutron_current_fw(
             if self.l_fw_2[g] > 0:
                 l_fw = np.sqrt(self.l_fw_2[g])
                 differentials.append(
-                    self.integration_constants[n].fw_c[g]
+                    self.coefficients[n].fw_c[g]
                     / l_fw
                     * np.sinh(x / l_fw)
                 )
                 differentials.append(
-                    self.integration_constants[n].fw_s[g]
+                    self.coefficients[n].fw_s[g]
                     / l_fw
                     * np.cosh(x / l_fw)
                 )
             else:
                 l_fw = np.sqrt(-self.l_fw_2[g])
                 differentials.append(
-                    -self.integration_constants[n].fw_c[g]
+                    -self.coefficients[n].fw_c[g]
                     / l_fw
                     * np.sin(x / l_fw)
                 )
                 differentials.append(
-                    self.integration_constants[n].fw_s[g]
+                    self.coefficients[n].fw_s[g]
                     / l_fw
                     * np.cos(x / l_fw)
                 )
@@ -804,24 +805,24 @@ def groupwise_neutron_current_bz(
             if self.l_bz_2[g] > 0:
                 l_bz = np.sqrt(self.l_bz_2[g])
                 differentials.append(
-                    self.integration_constants[n].bz_c[g]
+                    self.coefficients[n].bz_c[g]
                     / l_bz
                     * np.sinh(x / l_bz)
                 )
                 differentials.append(
-                    self.integration_constants[n].bz_s[g]
+                    self.coefficients[n].bz_s[g]
                     / l_bz
                     * np.cosh(x / l_bz)
                 )
             else:
                 l_bz = np.sqrt(-self.l_bz_2[g])
                 differentials.append(
-                    -self.integration_constants[n].bz_c[g]
+                    -self.coefficients[n].bz_c[g]
                     / l_bz
                     * np.sin(x / l_bz)
                 )
                 differentials.append(
-                    self.integration_constants[n].bz_s[g]
+                    self.coefficients[n].bz_s[g]
                     / l_bz
                     * np.cos(x / l_bz)
                 )
diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 4550b0aca2..ba13b2deee 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -35,7 +35,7 @@ def test_one_group():
         incoming_flux, x_fw, x_bz, fw_material, bz_material
     )
 
-    const = neutron_profile.integration_constants[0]  # alias to fit line width
+    const = neutron_profile.coefficients[0]  # alias to fit line width
     assert np.isclose(const.fw_c[0], 80.5346770788), "c5"
     assert np.isclose(const.fw_s[0], -76.5562120985), "c6"
     assert np.isclose(const.bz_c[0], 60.6871656017), "c7"
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 48f4c9ff83..6c4cbf14d0 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -86,8 +86,8 @@ def test_three_group():
     dummy = [10000, 1000, 100, 1]
     # fw_mat = MaterialMacroInfo()
     bz_mat = MaterialMacroInfo
-    # 2. same L_1 and L_3 shoudl yield integration_constants[2].fw_c[0] and
-    # integration_constants[2].fw_s[0] = 0.0
+    # 2. same L_1 and L_3 shoudl yield coefficients[2].fw_c[0] and
+    # coefficients[2].fw_s[0] = 0.0
     # self.l_fw_2 == self.l_fw_2[n] case.
     #
 

From 8a63ad158e09433676f3a2c4f676f53754de5245 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 21 Nov 2025 10:46:49 +0000
Subject: [PATCH 67/98] Removed unused constant

---
 process/neutronics_data.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index aabc97b60b..80fd4daf1b 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -9,7 +9,6 @@
 
 from process.exceptions import ProcessValidationError
 
-BARNS_TO_CM2 = 1e-24
 BARNS_TO_M2 = 1e-28
 N_A = Avogadro
 N2N_Q_VALUE = ...

From a97ba1715189cdee393339915a621abc72ecec95 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 21 Nov 2025 16:54:45 +0000
Subject: [PATCH 68/98] Majority of the conversion from 2-layer model to the
 infinite-layer model is complete.

---
 process/neutronics.py | 758 +++++++++++++++++-------------------------
 1 file changed, 313 insertions(+), 445 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index b2c443e6e9..dc27fd795a 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -5,6 +5,7 @@
 
 import functools
 import inspect
+from itertools import pairwise
 from collections.abc import Callable, Iterable
 from dataclasses import asdict, dataclass
 
@@ -96,7 +97,7 @@ def get_diffusion_coefficient_and_length(
 
     Returns
     -------
-    diffusion_coef:
+    diffusion_const:
         The diffusion coefficient as given by Reactor Analysis, Duderstadt and Hamilton.
         unit: [m]
     diffusion_len_2:
@@ -106,14 +107,14 @@ def get_diffusion_coefficient_and_length(
     """
 
     transport_xs = total_xs - 2 / (3 * avg_atomic_mass) * scattering_xs
-    diffusion_coef = 1 / 3 / transport_xs
-    diffusion_len_2 = diffusion_coef / (
+    diffusion_const = 1 / 3 / transport_xs
+    diffusion_len_2 = diffusion_const / (
         total_xs - scattering_xs - in_source_xs
     )
-    return diffusion_coef, diffusion_len_2
+    return diffusion_const, diffusion_len_2
 
 
-def extrapolation_length(diffusion_coefficient: float) -> float:
+def extrapolation_length(diffusion_constficient: float) -> float:
     """Get the extrapolation length of the final medium :math:`\\delta`.
 
     Notes
@@ -125,7 +126,7 @@ def extrapolation_length(diffusion_coefficient: float) -> float:
     THis yields a very close approximation. All of this equation is provided by
     Duderstadt and Hamilton.
     """
-    return 0.7104 * 3 * diffusion_coefficient
+    return 0.7104 * 3 * diffusion_constficient
 
 
 @dataclass
@@ -143,10 +144,8 @@ class Coefficients:
 
     """
 
-    fw_c: Iterable[float]
-    fw_s: Iterable[float]
-    bz_c: Iterable[float]
-    bz_s: Iterable[float]
+    c: Iterable[float]
+    s: Iterable[float]
 
     def validate_length(self, exp_len: int, parent_name: str):
         """Validate that all fields has the correct length."""
@@ -216,7 +215,7 @@ def values(self):
         return self._dict.values()
 
     def __repr__(self):
-        return f"AutoPopulatingDict{self._dict}"
+        return f"AutoPopulatingDict({self.name}):{self._dict}"
 
 
 class NeutronFluxProfile:
@@ -225,10 +224,8 @@ class NeutronFluxProfile:
     def __init__(
         self,
         flux: float,
-        x_fw: float,
-        x_bz: float,
-        fw_mat: MaterialMacroInfo,
-        bz_mat: MaterialMacroInfo,
+        interface_x: npt.NDArray[np.float64],
+        materials: Iterable[MaterialMacroInfo],
     ):
         """Initialize a particular FW-BZ geometry and neutron flux.
 
@@ -237,72 +234,86 @@ def __init__(
         flux:
             Nuetron flux directly emitted by the plasma, incident on the first wall.
             unit: m^-2 s^-1
-        x_fw:
-            thickness of the first wall [m].
-        x_bz:
-            thickness of the blanket + first-wall [m].
-        fw_mat:
-            first wall material information
-        bz_mat:
-            blanket material information
+        interface_x:
+            The x-coordinates of every interface between layers. For n_layers,
+            there will be n_layers - 1 interfaces between layers, plus the
+            interface between the final layer and the void into which neutrons
+            are lost.
+            E.g. interface_x[0] is the thickness of the first wall,
+            interface_x[1] is the thickness of the first wall + breeding zone,
+            etc.
+        materials:
+            Every layer's material information.
 
         Attributes
         ----------
-        fw_mat:
-            first wall material information
-        bz_mat:
-            blanket material information
+        n_layers:
+            Number of layers
         n_groups:
-            number of groups in the group structure
+            Number of groups in the group structure
         group_structure:
-            energy bin edges, 1D array of len = n_groups+1
+            Energy bin edges, 1D array of len = n_groups+1
 
         coefficients:
-            Coefficients that determine the flux shape (and therefore
-            reaction rates and neutron current) of each group. A set of four
-            constants, two for fw and two for bz; each with unit: [m^-2 s^-1]
-        l_fw_2:
-            square of the characteristic diffusion length as given by Reactor Analysis,
-            Duderstadt and Hamilton, applied to the fw. unit: [m^2]
-        l_bz_2:
-            square of the characteristic diffusion length as given by Reactor Analysis,
-            Duderstadt and Hamilton, applied to the bz. unit: [m^2]
-        d_fw:
-            diffusion constants in the fw. unit: [m]
-        d_bz:
-            diffusion constants in the bz. unit: [m]
+            Coefficients that determine the flux shape (and therefore reaction
+            rates, neutron current, etc.) of each group. Each coefficient has
+            unit: [m^-2 s^-1]
+        l2:
+            Square of the characteristic diffusion length of each layer as
+            given by Reactor Analysis, Duderstadt and Hamilton. unit: [m^2]
+        diffusion_const:
+            Diffusion coefficient of each layer. unit: [m]
         extended_boundary:
-            extended boundary (outside the bz) for each group.
-            This value should be larger than x_bz for each of them.
+            Extended boundary for each group. These values should be larger
+            than interface_x[-1].
         """
-        self.flux = flux  # flux incident on the first wall.
-        if not (0 < x_fw < x_bz):
+        # flux incident on the first wall at the highest energy.
+        self.flux = flux
+
+        # layers
+        self.interface_x = np.array(interface_x).ravel()
+        if not (np.diff(self.interface_x)>0).all():
             raise ValueError(
-                f"Cannot construct a first-wall+blanket module where{x_fw=}, {x_bz=}."
+                f"Model cannot have non-positive layer thicknesses."
             )
-        self.x_fw, self.x_bz = x_fw, x_bz
-        self.fw_mat = fw_mat
-        self.bz_mat = bz_mat
-        self.n_groups = self.fw_mat.n_groups
-        self.group_structure = self.fw_mat.group_structure
-        if not np.allclose(
-            self.fw_mat.group_structure,
-            self.bz_mat.group_structure,
-            atol=0,
-        ):
+        self.interface_x.flag.writeable = False
+        self.materials = tuple(materials)
+        if len(self.interface_x) != len(self.materials):
             raise ProcessValidationError(
-                "The first-wall material info and breeding zone material info"
-                "must have the same group structure!"
+                "The number of layers specified by self.materials must match "
+                "the number of x-positions specified by interface_x."
             )
-
-        self.coefficients = AutoPopulatingDict(
-            self.solve_group_n, "coefficients"
-        )
+        self.n_layers = len(self.materials)
+
+        # groups
+        fw_mat = self.materials[0]
+        for mat in self.materials[1:]:
+            if not np.allclose(
+                fw_mat.group_structure, mat.group_structure, atol=0,
+            ):
+                raise ProcessValidationError(
+                    "All material info must have the same group structure!"
+                )
+        self.n_groups = fw_mat.n_groups
+        self.group_structure = fw_mat.group_structure
+
+        trig_coefs, l2, d_coef = [], [], []
+        for num_layer, mat in enumerate(self.materials):
+            c_name = f"Coefficients for layer {num_layer}"
+            l_name = f"characteristic diffusion length for layer {num_layer}"
+            d_name = f"Diffusion coefficient D for layer {num_layer}"
+            if mat.name:
+                c_name += f":{mat.name}"
+                l_name += f":{mat.name}"
+                d_name += f":{mat.name}"
+            trig_coefs.append(AutoPopulatingDict(self.solve_group_n, c_name))
+            l2.append(AutoPopulatingDict(self.solve_group_n, l_name))
+            d_coef.append(AutoPopulatingDict(self.solve_group_n, d_name))
+
+        self.coefficients = tuple(trig_coefs)
+        self.l2 = tuple(l2)
+        self.diffusion_const = tuple(d_coef)
         # diffusion lengths squared
-        self.l_fw_2 = AutoPopulatingDict(self.solve_group_n, "l_fw_2")
-        self.l_bz_2 = AutoPopulatingDict(self.solve_group_n, "l_bz_2")
-        self.d_fw = AutoPopulatingDict(self.solve_group_n, "d_fw")
-        self.d_bz = AutoPopulatingDict(self.solve_group_n, "d_bz")
         self.extended_boundary = AutoPopulatingDict(
             self.solve_group_n, "extended_boundary"
         )
@@ -310,79 +321,76 @@ def __init__(
     def solve_lowest_group(self) -> None:
         """
         Solve the highest-energy (lowest-lethargy)-group's neutron diffusion equation.
-        Store the solved constants in self.extended_boundary[0], self.l_fw_2[0],
-        self.l_bz_2[0], and self.coefficients[0].
-        coefficients have units of [m^-2 s^-1].
+        Store the solved constants in self.extended_boundary[0], self.l2[*][0],
+        and self.coefficients[*][0].
+        self.coefficients each have units of [m^-2 s^-1].
         """
         n = 0
-        if n in self.coefficients:
+        if all(n in layer_coefs for layer_coefs in self.coefficients):
             return  # skip if it has already been solved.
-        self.d_fw[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
-            self.fw_mat.avg_atomic_mass,
-            self.fw_mat.sigma_t[n],
-            self.fw_mat.sigma_s[n, n],
-            self.fw_mat.sigma_in[n, n],
-        )
-        self.d_bz[n], self.l_bz_2[n] = get_diffusion_coefficient_and_length(
-            self.bz_mat.avg_atomic_mass,
-            self.bz_mat.sigma_t[n],
-            self.bz_mat.sigma_s[n, n],
-            self.bz_mat.sigma_in[n, n],
-        )
-        l_fw = np.sqrt(abs(self.l_fw_2[n]))
-        l_bz = np.sqrt(abs(self.l_bz_2[n]))
-        x_fw, x_bz = self.x_fw, self.x_bz
-        d_fw = self.d_fw[n]
-        d_bz = self.d_bz[n]
-        self.extended_boundary[n] = x_bz + extrapolation_length(d_bz)
-        if self.l_fw_2[n] > 0:
-            s_fw = np.sinh(x_fw / l_fw)
-            c_fw = np.cosh(x_fw / l_fw)
-            t_fw = np.tanh(x_fw / l_fw)
-        else:
-            s_fw = np.sin(x_fw / l_fw)
-            c_fw = np.cos(x_fw / l_fw)
-            t_fw = np.tan(x_fw / l_fw)
-        if self.l_bz_2[n] > 0:
-            c_bz = np.cosh(self.extended_boundary[n] / l_bz)
-            s_bz = np.sinh(self.extended_boundary[n] / l_bz)
-            c_bz_mod = np.cosh((self.extended_boundary[n] - x_fw) / l_bz)
-            s_bz_mod = np.sinh((self.extended_boundary[n] - x_fw) / l_bz)
-            t_bz_mod = np.tanh((self.extended_boundary[n] - x_fw) / l_bz)
-        else:
-            c_bz = np.cos(self.extended_boundary[n] / l_bz)
-            s_bz = np.sin(self.extended_boundary[n] / l_bz)
-            c_bz_mod = np.cos((self.extended_boundary[n] - x_fw) / l_bz)
-            s_bz_mod = np.sin((self.extended_boundary[n] - x_fw) / l_bz)
-            t_bz_mod = np.tan((self.extended_boundary[n] - x_fw) / l_bz)
-
-        fw_c_factor = -self.flux * (
-            l_fw / d_fw
-            - np.exp(x_fw / l_fw)
-            * ((l_fw / d_fw) + (l_bz / d_bz) * t_bz_mod)
-            / (c_fw + s_fw * t_bz_mod * (d_fw / l_fw) * (l_bz / d_bz))
+        for num_layer, mat in enumerate(self.materials):
+            self.diffusion_const[num_layer][n], self.l2[num_layer][n] = get_diffusion_coefficient_and_length(
+                mat.avg_atomic_mass,
+                mat.sigma_t[n],
+                mat.sigma_s[n, n],
+                mat.sigma_in[n, n],
+            )
+        self.extended_boundary[n] = self.interface_x[-1] + extrapolation_length(
+            self.diffusion_const[-1][n]
         )
-        fw_s_factor = -self.flux * l_fw / d_fw
+        if self.n_layers == 2:
+            l_fw, l_bz = np.sqrt(abs(self.l2[0][n])), np.sqrt(abs(self.l2[1][n]))
+            x_fw, = self.interface_x[:-1]
+            d_fw, d_bz = self.diffusion_const[0][n], self.diffusion_const[1][n]
+            if self.l2[0][n] > 0:
+                s_fw = np.sinh(x_fw / l_fw)
+                c_fw = np.cosh(x_fw / l_fw)
+                t_fw = np.tanh(x_fw / l_fw)
+            else:
+                s_fw = np.sin(x_fw / l_fw)
+                c_fw = np.cos(x_fw / l_fw)
+                t_fw = np.tan(x_fw / l_fw)
+            if self.l2[1][n] > 0:
+                c_bz = np.cosh(self.extended_boundary[n] / l_bz)
+                s_bz = np.sinh(self.extended_boundary[n] / l_bz)
+                c_bz_mod = np.cosh((self.extended_boundary[n] - x_fw) / l_bz)
+                s_bz_mod = np.sinh((self.extended_boundary[n] - x_fw) / l_bz)
+                t_bz_mod = np.tanh((self.extended_boundary[n] - x_fw) / l_bz)
+            else:
+                c_bz = np.cos(self.extended_boundary[n] / l_bz)
+                s_bz = np.sin(self.extended_boundary[n] / l_bz)
+                c_bz_mod = np.cos((self.extended_boundary[n] - x_fw) / l_bz)
+                s_bz_mod = np.sin((self.extended_boundary[n] - x_fw) / l_bz)
+                t_bz_mod = np.tan((self.extended_boundary[n] - x_fw) / l_bz)
+
+            fw_c_factor = -self.flux * (
+                l_fw / d_fw
+                - np.exp(x_fw / l_fw)
+                * ((l_fw / d_fw) + (l_bz / d_bz) * t_bz_mod)
+                / (c_fw + s_fw * t_bz_mod * (d_fw / l_fw) * (l_bz / d_bz))
+            )
+            fw_s_factor = -self.flux * l_fw / d_fw
 
-        bz_common_factor = (
-            self.flux
-            * np.exp(x_fw / l_fw)
-            * (1 - t_fw)
-            / ((d_bz / l_bz) * c_bz_mod + (d_fw / l_fw) * t_fw * s_bz_mod)
-        )
-        bz_c_factor = bz_common_factor * s_bz
-        bz_s_factor = -bz_common_factor * c_bz
+            bz_common_factor = (
+                self.flux
+                * np.exp(x_fw / l_fw)
+                * (1 - t_fw)
+                / ((d_bz / l_bz) * c_bz_mod + (d_fw / l_fw) * t_fw * s_bz_mod)
+            )
+            bz_c_factor = bz_common_factor * s_bz
+            bz_s_factor = -bz_common_factor * c_bz
 
-        self.coefficients[n] = Coefficients(
-            [fw_c_factor], [fw_s_factor], [bz_c_factor], [bz_s_factor]
-        )
+            self.coefficients[0][n] = Coefficients([fw_c_factor], [fw_s_factor])
+            self.coefficients[1][n] = Coefficients([bz_c_factor], [bz_s_factor])
+        else:
+            raise NotImplementedError("Only implemented 2 groups so far.")
         return
 
     def solve_group_n(self, n: int) -> None:
         """
-        Solve the n-th group of neutron's diffusion equation, where n<=n_groups-1.
-        Store the solved constants in self.extended_boundary[n-1], self.l_fw_2[n-1],
-        self.l_bz_2[n-1], and self.coefficients[n-1].
+        Solve the n-th group of neutron's diffusion equation, where n <=
+        n_groups-1. Store the solved constants in self.extended_boundary[n-1],
+        self.l2[*][n-1], and self.coefficients[*][n-1].
 
         Parameters
         ----------
@@ -399,183 +407,132 @@ def solve_group_n(self, n: int) -> None:
             return self.solve_lowest_group()
         # ensure all lower groups are solved.
         for k in range(n):
-            if k not in self.coefficients:
+            if not all(k in layer_coefs for layer_coefs in self.coefficients):
                 self.solve_group_n(k)
-        if not (self.fw_mat.downscatter_only and self.bz_mat.downscatter_only):
+        if not all(mat.downscatter_only for mat in self.materials):
             raise NotImplementedError(
                 "Will implement solve_group_n in a loop later..."
             )
-        if n in self.coefficients:
+        if all(n in layer_coefs for layer_coefs in self.coefficients):
             return None  # skip if it has already been solved.
         # Parameter to be changed later, to allow solving non-down-scatter
         # only systems by iterating.
         first_iteration = True
-        self.d_fw[n], self.l_fw_2[n] = get_diffusion_coefficient_and_length(
-            self.fw_mat.avg_atomic_mass,
-            self.fw_mat.sigma_t[n],
-            self.fw_mat.sigma_s[n, n],
-            self.fw_mat.sigma_in[n, n],
-        )
-        self.d_bz[n], self.l_bz_2[n] = get_diffusion_coefficient_and_length(
-            self.bz_mat.avg_atomic_mass,
-            self.bz_mat.sigma_t[n],
-            self.bz_mat.sigma_s[n, n],
-            self.bz_mat.sigma_in[n, n],
-        )
-        self.extended_boundary[n] = self.x_bz + extrapolation_length(
-            self.d_bz[n]
+        for num_layer, mat in enumerate(self.materials):
+            self.diffusion_const[num_layer][n], self.l2[num_layer][n] = get_diffusion_coefficient_and_length(
+                mat.avg_atomic_mass,
+                mat.sigma_t[n],
+                mat.sigma_s[n, n],
+                mat.sigma_in[n, n],
+            )
+        self.extended_boundary[n] = self.interface_x[-1] + extrapolation_length(
+            self.diffusion_const[-1][n]
         )
 
-        # Setting up aliases for shorter code
-        l_fw_2, l_bz_2 = self.l_fw_2[n], self.l_bz_2[n]
-        d_fw, d_bz = self.d_fw[n], self.d_bz[n]
-        src_fw = self.fw_mat.sigma_s + self.fw_mat.sigma_in
-        src_bz = self.bz_mat.sigma_s + self.bz_mat.sigma_in
-
-        self.coefficients[n] = Coefficients([], [], [], [])
-        for g in range(n):
-            # if the characteristic length of group [g] coincides with the
-            # characteristic length of group [n], then that particular
-            # cosh/sinh would be indistinguishable from group [n]'s
-            # cosh/sinh anyways, therefore we can set the coefficient to 0.
-            if np.isclose(diff_fw := self.l_fw_2[g] - l_fw_2, 0):
-                scale_factor_fw = 0.0
-            else:
-                scale_factor_fw = (l_fw_2 * self.l_fw_2[g]) / d_fw / diff_fw
-            if np.isclose(diff_bz := self.l_bz_2[g] - l_bz_2, 0):
-                scale_factor_bz = 0.0
-            else:
-                scale_factor_bz = (l_bz_2 * self.l_bz_2[g]) / d_bz / diff_bz
-            self.coefficients[n].fw_c.append(
-                sum(
-                    src_fw[i, n] * self.coefficients[i].fw_c[g]
-                    for i in range(g, n)
-                )
-                * scale_factor_fw
-            )
-            self.coefficients[n].fw_s.append(
-                sum(
-                    src_fw[i, n] * self.coefficients[i].fw_s[g]
-                    for i in range(g, n)
-                )
-                * scale_factor_fw
-            )
-            self.coefficients[n].bz_c.append(
-                sum(
-                    src_bz[i, n] * self.coefficients[i].bz_c[g]
-                    for i in range(g, n)
+
+        for num_layer in range(self.n_layers):
+            # Setting up aliases for shorter code
+            _coefs = Coefficients([], [])
+            mat = self.materials[num_layer]
+            src_matrix = mat.sigma_s + mat.sigma_in
+            diffusion_const_n = self.diffusion_const[num_layer][n]
+            for g in range(n):
+                # if the characteristic length of group [g] coincides with the
+                # characteristic length of group [n], then that particular
+                # cosh/sinh would be indistinguishable from group [n]'s
+                # cosh/sinh anyways, therefore we can set the coefficient to 0.
+                scale_factor = 0.0
+                l2n, l2g = self.l2[num_layer][n], self.l2[num_layer][g]
+                if not np.isclose(l2_diff:=(l2g - l2n), 0):
+                    scale_factor = (l2n * l2g) / diffusion_const_n / l2_diff
+                _coefs.c.append(
+                    sum(
+                        src_matrix[i, n] * self.coefficients[num_layer][i].c[g]
+                        for i in range(g, n)
+                    )
+                    * scale_factor
                 )
-                * scale_factor_bz
-            )
-            self.coefficients[n].bz_s.append(
-                sum(
-                    src_bz[i, n] * self.coefficients[i].bz_s[g]
-                    for i in range(g, n)
+                _coefs.s.append(
+                    sum(
+                        src_matrix[i, n] * self.coefficients[num_layer][i].s[g]
+                        for i in range(g, n)
+                    )
+                    * scale_factor
                 )
-                * scale_factor_bz
-            )
 
-        fw_c_factor_guess = 0.0
-        fw_s_factor_guess = 0.0
-        bz_c_factor_guess = 0.0
-        bz_s_factor_guess = 0.0
-        self.coefficients[n].fw_c.append(fw_c_factor_guess)
-        self.coefficients[n].fw_s.append(fw_s_factor_guess)
-        self.coefficients[n].bz_c.append(bz_c_factor_guess)
-        self.coefficients[n].bz_s.append(bz_s_factor_guess)
-
-        def _set_constants(input_vector: Iterable[float]):
-            self.coefficients[n].fw_c[n] = input_vector[0]
-            self.coefficients[n].fw_s[n] = input_vector[1]
-            self.coefficients[n].bz_c[n] = input_vector[2]
-            self.coefficients[n].bz_s[n] = input_vector[3]
+            c_factor_guess = 0.0
+            s_factor_guess = 0.0
+            _coefs.c.append(c_factor_guess)
+            _coefs.s.append(s_factor_guess)
+            self.coefficients[num_layer][n] = _coefs
+
+
+        def _set_coefficients(input_vector: Iterable[float]):
+            for num_layer in range(self.n_layers):
+                i = num_layer * 2
+                self.coefficients[num_layer][n].c[n] = input_vector[i]
+                self.coefficients[num_layer][n].s[n] = input_vector[i+1]
 
         def _evaluate_fit():
-            flux_continuity = self.groupwise_neutron_flux_fw(
-                n, self.x_fw
-            ) - self.groupwise_neutron_flux_bz(n, self.x_fw)
-            flux_at_boundary = self.groupwise_neutron_flux_bz(
-                n, self.extended_boundary[n]
+            # zero flux condition 
+            flux_at_boundary = self.groupwise_neutron_flux_in_layer(
+                n, self.n_layers - 1, self.extended_boundary[n]
             )
-            current_continuity = self.groupwise_neutron_current_fw(
-                n, self.x_fw
-            ) - self.groupwise_neutron_current_bz(n, self.x_fw)
-            influx_fw, influx_bz = 0.0, 0.0
+            # conservation condition
+            influx, removal = 0.0, 0.0
             for g in range(self.n_groups):
                 if g > n and not first_iteration:
-                    if not self.fw_mat.downscatter_only:
-                        influx_fw += (
-                            self.fw_mat.sigma_s[g, n]
-                            + self.fw_mat.sigma_in[g, n]
-                        ) * self.groupwise_integrated_flux_fw(g)
-                    if not self.bz_mat.downscatter_only:
-                        influx_bz += (
-                            self.bz_mat.sigma_s[g, n]
-                            + self.bz_mat.sigma_in[g, n]
-                        ) * self.groupwise_integrated_flux_bz(g)
+                    for num_layer, mat in self.materials:
+                        if not mat.downscatter_only:
+                            influx += (mat.sigma_s[g, n] + mat.sigma_in[g, n]) * self.groupwise_integrated_flux_in_layer(g, num_layer)
                 elif g <= n:
-                    influx_fw += (
-                        self.fw_mat.sigma_s[g, n] + self.fw_mat.sigma_in[g, n]
-                    ) * self.groupwise_integrated_flux_fw(g)
-                    influx_bz += (
-                        self.bz_mat.sigma_s[g, n] + self.bz_mat.sigma_in[g, n]
-                    ) * self.groupwise_integrated_flux_bz(g)
-            removal_fw = self.fw_mat.sigma_t[
-                n
-            ] * self.groupwise_integrated_flux_fw(n)
-            removal_bz = self.bz_mat.sigma_t[
-                n
-            ] * self.groupwise_integrated_flux_bz(n)
+                    for num_layer, mat in self.materials:
+                        influx += (mat.sigma_s[g, n] + mat.sigma_in[g, n]) * self.groupwise_integrated_flux_in_layer(g, num_layer)
+            for num_layer, mat in self.materials:
+                removal += mat.sigma_t[n] * self.groupwise_integrated_flux_in_layer(n, num_layer)
             # conservation_fw = influx_fw - removal_fw - current_fw2bz
             # conservation_bz = current_fw2bz + influx_bz - removal_bz - escaped_bz
-            total_neutron_conservation = (
-                influx_fw
-                + influx_bz
-                - removal_fw
-                - removal_bz
-                - self.groupwise_neutron_current_escaped(n)
-            )
-            return np.array([
-                flux_continuity,
-                flux_at_boundary,
-                current_continuity,
-                total_neutron_conservation,
-            ])
-
-        def objective(four_coefficients_vector):
-            _set_constants(four_coefficients_vector)
+            total_neutron_conservation = influx - removal - self.groupwise_neutron_current_escaped(n)
+
+            conditions = [flux_at_boundary, total_neutron_conservation]
+
+            # enforce continuity conditions
+            for num_layer in range(self.n_layers - 1):
+                x = self.interface_x[num_layer]
+                flux_continuity = self.groupwise_neutron_flux_in_layer(n, num_layer, x) - self.groupwise_neutron_flux_in_layer(n, num_layer + 1, x)
+                current_continuity = self.groupwise_neutron_current_in_layer(n, num_layer, x) - self.groupwise_neutron_current_in_layer(n, num_layer + 1, x)
+            conditions.append(flux_continuity)
+            conditions.append(current_continuity)
+            # TODO: there may be one more condition that I should impose: the slope at x=0 should be 0.
+            return np.array(conditions)
+
+        def objective(coefficients_vector):
+            _set_coefficients(coefficients_vector)
             return _evaluate_fit()
 
-        results = optimize.root(
-            objective,
-            x0=[
-                fw_c_factor_guess,
-                fw_s_factor_guess,
-                bz_c_factor_guess,
-                bz_s_factor_guess,
-            ],
-        )
-        _set_constants(results.res)
+        x0 = np.flatten([[layer_coefs[n].c[n], layer_coefs[n].s[n]] for layer_coefs in self.coefficients])
+        results = optimize.root(objective, x0=x0)
+        _set_coefficients(results.res)
         return None
 
     @summarize_values
-    def groupwise_neutron_flux_fw(
-        self, n: int, x: float | npt.NDArray
+    def groupwise_neutron_flux_in_layer(
+        self, n: int, num_layer: int, x: float | npt.NDArray
     ) -> npt.NDArray:
         """
-        Neutron flux[m^-2 s^-1] of the n-th group at the first wall, at location x [m].
+        Neutron flux[m^-2 s^-1] of the n-th group int h specified layer,
+        at location x [m].
 
         Parameters
         ----------
         n:
-            The index of the neutron group whose flux is being evaluated. n <= n_groups - 1.
+            The index of the neutron group whose flux is being evaluated.
+            n <= n_groups - 1.
             Therefore n=0 shows the flux for group 1, n=1 for group 2, etc.
+        num_layer:
+            The index of the layer that we want to get the neutron flux for.
         x:
             The position where the neutron flux has to be evaluated.
-            Note that this function does not enforce a check for x=inside the first-wall,
-            thus if x is outside the first-wall, an extrapolated first-wall flux value up
-            to that point will be given, this flux is still guaranteed to be non-singular
-            i.e. finite, but not guaranteed to be positive.
 
         Returns
         -------
@@ -584,58 +541,16 @@ def groupwise_neutron_flux_fw(
         """
         trig_funcs = []
         for g in range(n + 1):
-            if self.l_fw_2[g] > 0:
+            if self.l2[num_layer][g] > 0:
                 c, s = np.cosh, np.sinh
-                l_fw = np.sqrt(self.l_fw_2[g])
+                l = np.sqrt(self.l2[num_layer][g])
             else:
                 c, s = np.cos, np.sin
-                l_fw = np.sqrt(-self.l_fw_2[g])
-            trig_funcs.append(
-                self.coefficients[n].fw_c[g] * c(abs(x) / l_fw)
-            )
-            trig_funcs.append(
-                self.coefficients[n].fw_s[g] * s(abs(x) / l_fw)
-            )
+                l = np.sqrt(-self.l2[num_layer][g])
+            trig_funcs.append(self.coefficients[num_layer][n].c[g] * c(abs(x) / l))
+            trig_funcs.append(self.coefficients[num_layer][n].s[g] * s(abs(x) / l))
         return np.sum(trig_funcs, axis=0)
 
-    @summarize_values
-    def groupwise_neutron_flux_bz(
-        self, n: int, x: float | npt.NDArray
-    ) -> npt.NDArray:
-        """Neutron flux[m^-2 s^-1] of the n-th groupat the blanket, at location x [m].
-
-        Parameters
-        ----------
-        n:
-            The index of the neutron group whose flux is being evaluated. n <= n_groups - 1.
-            Therefore n=0 shows the flux for group 1, n=1 for group 2, etc.
-        x:
-            The position where the neutron flux has to be evaluated. [m]
-            Note that this function does not enforce a check for x=inside the blanket,
-            thus if x is outside the blanket, an extrapolated blanket flux value up to
-            that point will be given, this flux is still guaranteed to be non-singular
-            i.e. finite, but not guaranteed to be positive.
-
-        Returns
-        -------
-        flux:
-            Neutron flux at x meter from the first wall.
-        """
-        trig_funcs = []
-        for g in range(n + 1):
-            if self.l_bz_2[g] > 0:
-                c, s = np.cosh, np.sinh
-                l_bz = np.sqrt(self.l_bz_2[g])
-            else:
-                c, s = np.cos, np.sin
-                l_bz = np.sqrt(-self.l_bz_2[g])
-            trig_funcs.append(
-                self.coefficients[n].bz_c[g] * c(abs(x) / l_bz)
-            )
-            trig_funcs.append(
-                self.coefficients[n].bz_s[g] * s(abs(x) / l_bz)
-            )
-        return np.sum(trig_funcs, axis=0)
 
     @summarize_values
     def groupwise_neutron_flux_at(
@@ -662,171 +577,120 @@ def groupwise_neutron_flux_at(
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
         x = np.asarray(x)
-        in_fw = abs(x) <= self.x_fw
-        in_bz = np.logical_and(
-            self.x_fw < abs(x),
-            abs(x) <= self.extended_boundary[n],
-        )
-        if (~np.logical_or(in_fw, in_bz)).any():
+        if not all(-self.extended_boundary[n]<=x<=self.extended_boundary[n]):
             raise ValueError(
                 f"for neutron group {n}, neutron flux can only be calculated "
                 f"up to {self.extended_boundary[n]} m, which {x} m violates!"
             )
 
         out_flux = np.zeros_like(x)
-        out_flux[in_fw] = self.groupwise_neutron_flux_fw(n, x[in_fw])
-        out_flux[in_bz] = self.groupwise_neutron_flux_bz(n, x[in_bz])
+        abs_x = abs(x)
+        extended_interface_x = [0, *self.interface_x]
+        extended_interface_x[-1] = np.nextafter(self.extended_boundary[n], np.inf)
+        for num_layer, (lower_x, upper_x) in enumerate(pairwise(extended_interface_x)):
+            in_layer = lower_x <= abs_x < upper_x
+            if in_layer.any():
+                out_flux[in_layer] = self.groupwise_neutron_flux_in_layer(
+                    n, num_layer, x[in_layer]
+                )
         return out_flux
 
     # scalar values (one such float per neutron group.)
     @summarize_values
-    def groupwise_integrated_flux_fw(self, n: int) -> float:
+    def groupwise_integrated_flux_in_layer(
+        self, n: int, num_layer: int
+    ) -> float:
         """
         Calculate the integrated flux[m^-1 s^-1], which can be mulitplied to any
         macroscopic cross-section [m^-1] to get the reaction rate [s^-1] in
-        the first wall.
+        any layer specified.
 
         Parameters
         ----------
         n:
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
             Therefore n=0 shows the integrated flux for group 1, n=1 for group 2, etc.
+        num_layer:
+            The index of the layer that we want to get the neutron flux for.
         """
         integrals = []
+        # set integration limits
+        x_start = self.interface_x[num_layer-1]
+        if num_layer==0:
+            x_start = 0.0
+        x_end = self.interface_x[num_layer]
+
         for g in range(n + 1):
-            if self.l_fw_2[g] > 0:
-                l_fw = np.sqrt(self.l_fw_2[g])
+            l2g = self.l2[num_layer][g]
+            if l2g > 0:
+                l = np.sqrt(l2g)
                 integrals.append(
-                    l_fw
-                    * self.coefficients[n].fw_c[g]
-                    * np.sinh(self.x_fw / l_fw)
+                    l * self.coefficients[num_layer][n].c[g]
+                    * (np.sinh(x_end / l) - np.sinh(x_start / l))
                 )
                 integrals.append(
-                    l_fw
-                    * self.coefficients[n].fw_s[g]
-                    * (np.cosh(self.x_fw / l_fw) - 1)
+                    l * self.coefficients[num_layer][n].s[g]
+                    * (np.cosh(x_end / l) - np.cosh(x_start / l))
                 )
             else:
-                l_fw = np.sqrt(-self.l_fw_2[g])
+                l = np.sqrt(-l2g)
                 integrals.append(
-                    l_fw
-                    * self.coefficients[n].fw_c[g]
-                    * np.sin(self.x_fw / l_fw)
+                    l * self.coefficients[num_layer][n].c[g]
+                    * (np.sin(x_end / l) - np.sin(x_start / l))
                 )
                 integrals.append(
-                    l_fw
-                    * self.coefficients[n].fw_s[g]
-                    * (1 - np.cos(self.x_fw / l_fw))
+                    -l * self.coefficients[num_layer][n].s[g]
+                    * (np.cos(x_end / l) - np.cos(x_start / l))
                 )
-
         return np.sum(integrals, axis=0)
 
+
     @summarize_values
-    def groupwise_integrated_flux_bz(self, n: int) -> float:
+    def groupwise_neutron_current_in_layer(
+        self, n: int, num_layer: int, x: float | npt.NDArray
+    ) -> float:
         """
-        Calculate the integrated flux[m^-1 s^-1], which can be mulitplied to any
-        macroscopic cross-section [m^-1] to get the reaction rate [s^-1] in
-        the blanket.
+        Get the neutron current (right=positive, left=negative) in any layer.
 
         Parameters
         ----------
         n:
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
             Therefore n=0 shows the integrated flux for group 1, n=1 for group 2, etc.
+        num_layer:
+            The index of the layer that we want to get the neutron flux for.
+        x:
+            The depth where we want the neutron flux [m].
+            Valid only between x= -extended boundary to +-extended boundary of that group
         """
-        integrals = []
-        for g in range(n + 1):
-            if self.l_bz_2[g] > 0:
-                l_bz = np.sqrt(self.l_bz_2[g])
-                integrals.append(
-                    l_bz
-                    * self.coefficients[n].bz_c[g]
-                    * (np.sinh(self.x_bz / l_bz) - np.sinh(self.x_fw / l_bz))
-                )
-                integrals.append(
-                    l_bz
-                    * self.coefficients[n].bz_s[g]
-                    * (np.cosh(self.x_bz / l_bz) - np.cosh(self.x_fw / l_bz))
-                )
-            else:
-                l_bz = np.sqrt(-self.l_bz_2[g])
-                integrals.append(
-                    l_bz
-                    * self.coefficients[n].bz_c[g]
-                    * (np.sin(self.x_bz / l_bz) - np.sin(self.x_fw / l_bz))
-                )
-                integrals.append(
-                    -l_bz
-                    * self.coefficients[n].bz_s[g]
-                    * (np.cos(self.x_bz / l_bz) - np.cos(self.x_fw / l_bz))
-                )
-        return np.sum(integrals, axis=0)
-
-    @summarize_values
-    def groupwise_neutron_current_fw(
-        self, n: int, x: float | npt.NDArray
-    ) -> float:
-        """Get the neutron current (in the outward direction) in the fw"""
-        differentials = []
-        for g in range(n + 1):
-            if self.l_fw_2[g] > 0:
-                l_fw = np.sqrt(self.l_fw_2[g])
-                differentials.append(
-                    self.coefficients[n].fw_c[g]
-                    / l_fw
-                    * np.sinh(x / l_fw)
-                )
-                differentials.append(
-                    self.coefficients[n].fw_s[g]
-                    / l_fw
-                    * np.cosh(x / l_fw)
-                )
-            else:
-                l_fw = np.sqrt(-self.l_fw_2[g])
-                differentials.append(
-                    -self.coefficients[n].fw_c[g]
-                    / l_fw
-                    * np.sin(x / l_fw)
-                )
-                differentials.append(
-                    self.coefficients[n].fw_s[g]
-                    / l_fw
-                    * np.cos(x / l_fw)
-                )
-        return -self.d_fw[n] * np.sum(differentials, axis=0)
-
-    @summarize_values
-    def groupwise_neutron_current_bz(
-        self, n: int, x: float | npt.NDArray
-    ) -> float:
-        """Get the neutron current (in the outward direction) in the bz."""
         differentials = []
         for g in range(n + 1):
-            if self.l_bz_2[g] > 0:
-                l_bz = np.sqrt(self.l_bz_2[g])
+            l2g = self.l2[num_layer][g]
+            if l2g > 0:
+                l = np.sqrt(l2g)
                 differentials.append(
-                    self.coefficients[n].bz_c[g]
-                    / l_bz
-                    * np.sinh(x / l_bz)
+                    self.coefficients[num_layer][n].c[g]
+                    / l
+                    * np.sinh(abs(x) / l)
                 )
                 differentials.append(
-                    self.coefficients[n].bz_s[g]
-                    / l_bz
-                    * np.cosh(x / l_bz)
+                    self.coefficients[num_layer][n].s[g]
+                    / l
+                    * np.cosh(abs(x) / l)
                 )
             else:
-                l_bz = np.sqrt(-self.l_bz_2[g])
+                l = np.sqrt(-l2g)
                 differentials.append(
-                    -self.coefficients[n].bz_c[g]
-                    / l_bz
-                    * np.sin(x / l_bz)
+                    -self.coefficients[num_layer][n].c[g]
+                    / l
+                    * np.sin(abs(x) / l)
                 )
                 differentials.append(
-                    self.coefficients[n].bz_s[g]
-                    / l_bz
-                    * np.cos(x / l_bz)
+                    self.coefficients[num_layer][n].s[g]
+                    / l
+                    * np.cos(abs(x) / l)
                 )
-        return -self.d_bz[n] * np.sum(differentials, axis=0)
+        return -self.diffusion_const[num_layer][n] * np.sum(differentials, axis=0) * np.sign(x)
 
     @summarize_values
     def groupwise_neutron_current_at(
@@ -853,21 +717,23 @@ def groupwise_neutron_current_at(
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
         x = np.asarray(x)
-        in_fw = abs(x) <= self.x_fw
-        in_bz = np.logical_and(
-            self.x_fw < abs(x),
-            abs(x) <= self.x_bz,
-        )
-        if (~np.logical_or(in_fw, in_bz)).any():
+        if not all(-self.extended_boundary[n]<=x<=self.extended_boundary[n]):
             raise ValueError(
-                f"for neutron group {n}, neutron flux can only be calculated "
-                f"up to {self.x_bz} m, which {x} m violates!"
+                f"for neutron group {n}, neutron current can only be calculated"
+                f" up to {self.extended_boundary[n]} m, which {x} m violates!"
             )
 
-        out_current = np.zeros_like(x)
-        out_current[in_fw] = self.groupwise_neutron_current_fw(n, x[in_fw])
-        out_current[in_bz] = self.groupwise_neutron_current_bz(n, x[in_bz])
-        return out_current
+        current = np.zeros_like(x)
+        abs_x = abs(x)
+        extended_interface_x = [0, *self.interface_x]
+        extended_interface_x[-1] = np.nextafter(self.extended_boundary[n], np.inf)
+        for num_layer, (lower_x, upper_x) in enumerate(pairwise(extended_interface_x)):
+            in_layer = lower_x <= abs_x < upper_x
+            if in_layer.any():
+                current[in_layer] = self.groupwise_neutron_current_in_layer(
+                    n, num_layer, x[in_layer]
+                )
+        return current
 
     @summarize_values
     def groupwise_neutron_current_fw2bz(self, n: int) -> float:
@@ -903,12 +769,13 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
         """
         return self.groupwise_neutron_current_bz(n, self.x_bz)
 
-    def plot(
+    def plot_flux(
         self,
         ax: plt.Axes | None = None,
         n_points: int = 100,
         symmetric: bool = True,
         plot_groups: bool = True,
+        quantity: str = "flux",
     ):
         """
         Make a rough plot of the neutron flux.
@@ -924,6 +791,8 @@ def plot(
         plot_groups:
             Whether to plot each individual group's neutron flux.
             If True, a legend will be added to help label the groups.
+        quantity:
+            Options of plotting which quantity: {"flux", "current"}.
         """
         self.solve_group_n(self.n_groups - 1)
         ax = ax or plt.axes()
@@ -989,7 +858,6 @@ def plot(
         ax.set_ylabel("Neutron flux [m^-2 s^-1]")
         return ax
 
-
 def _generate_x_range(
     x_max: float,
     approx_n_points: int,

From fa6d26667f542bc8bd5daf2920ff58b95801f653 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 21 Nov 2025 17:06:03 +0000
Subject: [PATCH 69/98] Neutron flux and current are defined such that they're
 assumed to be unperturbed once the neutrons exit the final layer. I.e. the
 neutron flux and current at infinity == the neutron flux and current at the
 interface between the final layer and the void.

---
 process/neutronics.py | 38 +++++++++++++-------------------------
 1 file changed, 13 insertions(+), 25 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index dc27fd795a..9ce5d6fafb 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -557,8 +557,8 @@ def groupwise_neutron_flux_at(
         self, n: int, x: float | npt.NDArray
     ) -> npt.NDArray:
         """
-        Neutron flux [m^-2 s^-1] anywhere within the valid range of x,
-        i.e. [-self.extended_boundary[n], self.extended_boundary[n]].
+        Neutron flux [m^-2 s^-1] anywhere. Neutron flux is assumed to be
+        unperturbed once it leaves the final layer.
 
         Parameters
         ----------
@@ -576,18 +576,13 @@ def groupwise_neutron_flux_at(
         """
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
-        x = np.asarray(x)
-        if not all(-self.extended_boundary[n]<=x<=self.extended_boundary[n]):
-            raise ValueError(
-                f"for neutron group {n}, neutron flux can only be calculated "
-                f"up to {self.extended_boundary[n]} m, which {x} m violates!"
-            )
+        x = np.clip(np.asarray(x), -self.interface_x[-1], self.interface_x[-1])
 
         out_flux = np.zeros_like(x)
         abs_x = abs(x)
-        extended_interface_x = [0, *self.interface_x]
-        extended_interface_x[-1] = np.nextafter(self.extended_boundary[n], np.inf)
-        for num_layer, (lower_x, upper_x) in enumerate(pairwise(extended_interface_x)):
+        x_cutoffs = [0, *self.interface_x]
+        x_cutoffs[-1] = np.nextafter(x_cutoffs[-1], np.inf)
+        for num_layer, (lower_x, upper_x) in enumerate(pairwise(x_cutoffs)):
             in_layer = lower_x <= abs_x < upper_x
             if in_layer.any():
                 out_flux[in_layer] = self.groupwise_neutron_flux_in_layer(
@@ -697,8 +692,8 @@ def groupwise_neutron_current_at(
         self, n: int, x: float | npt.NDArray
     ) -> npt.NDArray:
         """
-        Neutron current [m^-2 s^-1] anywhere within the valid range of x,
-        i.e. from -self.x_bz to self.x_bz.
+        Neutron current [m^-2 s^-1]. Neutron current is assumed to be
+        unperturbed once it leaves the final layer.
 
         Parameters
         ----------
@@ -716,18 +711,13 @@ def groupwise_neutron_current_at(
         """
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
-        x = np.asarray(x)
-        if not all(-self.extended_boundary[n]<=x<=self.extended_boundary[n]):
-            raise ValueError(
-                f"for neutron group {n}, neutron current can only be calculated"
-                f" up to {self.extended_boundary[n]} m, which {x} m violates!"
-            )
+        x = np.clip(np.asarray(x), -self.interface_x[-1], self.interface_x[-1])
 
         current = np.zeros_like(x)
         abs_x = abs(x)
-        extended_interface_x = [0, *self.interface_x]
-        extended_interface_x[-1] = np.nextafter(self.extended_boundary[n], np.inf)
-        for num_layer, (lower_x, upper_x) in enumerate(pairwise(extended_interface_x)):
+        x_cutoffs = [0, *self.interface_x]
+        x_cutoffs[-1] = np.nextafter(x_cutoffs[-1], np.inf)
+        for num_layer, (lower_x, upper_x) in enumerate(pairwise(x_cutoffs)):
             in_layer = lower_x <= abs_x < upper_x
             if in_layer.any():
                 current[in_layer] = self.groupwise_neutron_current_in_layer(
@@ -798,7 +788,7 @@ def plot_flux(
         ax = ax or plt.axes()
 
         x_bz_left, x_fw, x_bz_right = _generate_x_range(
-            min(self.extended_boundary.values()),
+            max(self.extended_boundary.values()),
             n_points,
             symmetric,
             self.x_fw,
@@ -870,8 +860,6 @@ def _generate_x_range(
     ----------
     x_max:
         absolute value of the maximum x that we want to plot.
-        This is typically obtained by min(extended_boundary), or
-        extended_boundary[n] [m]
     symmetric:
         Whether we want to plot the negative side of the x-axis as well, forming
         a symmetric plot.

From 715b379ec41dcfc4cea2c2177f34a2080b6b4fe9 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 21 Nov 2025 18:08:57 +0000
Subject: [PATCH 70/98] Updated docstring on Coefficients (now gives the
 correct use case) and populated the docstring of NeutronFluxProfile.

---
 process/neutronics.py | 119 ++++++++++++++++++++++++------------------
 1 file changed, 68 insertions(+), 51 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 9ce5d6fafb..ad2a1e4067 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -137,10 +137,15 @@ class Coefficients:
     group n=1 has cosh(x/L[0]), sinh(x/L[0]), cosh(x/L[1]) and sinh(x/L[1]),
     etc.
     To get the neutron flux, each trig func has to be scaled by a coeffient.
-    E.g.
-    group n=0: fw: fw_c[0][0] * cosh(x/L[0]) + fw_s[0][0] * sinh(x/L[0])
-    group n=1: fw: fw_c[1][0] * cosh(x/L[0]) + fw_c[1][1] * cosh(x/L[1])
-                + fw_s[1][0] * sinh(x/L[0]) + fw_s[1][1] * sinh(x/L[1])
+    E.g. Let's say for the first wall, which is num_layer=0,
+    group n=0: NeutronFluxProfile.coefficients[0][0] = Coefficients(...)
+        fw_grp0 = NeutronFluxProfile.coefficients[0][0]
+        flux = fw_grp0.c[0] * cosh(x/L[0]) + fw_grp0.s[0] * sinh(x/L[0])
+    
+    group n=1: NeutronFluxProfile.coefficients[0][1] = Coefficients(...)
+        fw_grp1 = NeutronFluxProfile.coefficients[0][1]
+        flux = fw_grp1.c[0] * cosh(x/L[0]) + fw_grp1.c[1] * cosh(x/L[1])
+                + fw_grp1.s[0] * sinh(x/L[0]) + fw_grp1.s[1] * sinh(x/L[1])
 
     """
 
@@ -219,12 +224,18 @@ def __repr__(self):
 
 
 class NeutronFluxProfile:
-    """Neutron flux in the first wall or the blanket."""
+    """
+    Calculate the neutron flux, neutron current, and neutron heating in the
+    mirrored infinite-slab model, where each layer extend infinitely in y- and
+    z-directions, but has finite width in the x-direction. Each layer's
+    thickness is defined along the positive x-axis starting at 0, and then
+    reflected along x=0 to fill out the negative x-axis.
+    """
 
     def __init__(
         self,
         flux: float,
-        interface_x: npt.NDArray[np.float64],
+        layer_x: npt.NDArray[np.float64],
         materials: Iterable[MaterialMacroInfo],
     ):
         """Initialize a particular FW-BZ geometry and neutron flux.
@@ -234,19 +245,24 @@ def __init__(
         flux:
             Nuetron flux directly emitted by the plasma, incident on the first wall.
             unit: m^-2 s^-1
-        interface_x:
-            The x-coordinates of every interface between layers. For n_layers,
-            there will be n_layers - 1 interfaces between layers, plus the
-            interface between the final layer and the void into which neutrons
-            are lost.
-            E.g. interface_x[0] is the thickness of the first wall,
-            interface_x[1] is the thickness of the first wall + breeding zone,
+        layer_x:
+            The x-coordinates of the right side of every layers. By definition,
+            the plasma is situated at x=0, so all values in layer_x must be >0.
+            E.g. layer_x[0] is the thickness of the first wall,
+            layer_x[1] is the thickness of the first wall + breeding zone,
             etc.
         materials:
             Every layer's material information.
 
         Attributes
         ----------
+        interface_x:
+            The x-coordinates of every plasma-layer interfaces/ layer-layer
+            interface/ layer-void interface. For n_layers,
+            there will be the interface between the first layer and the plasma,
+            plus (n_layers - 1) interfaces between layers, plus the interface
+            between the final layer and the void into which neutrons are lost.
+            E.g. interface_x[0] = 0.0 = the plasma-fw interface.
         n_layers:
             Number of layers
         n_groups:
@@ -265,23 +281,27 @@ def __init__(
             Diffusion coefficient of each layer. unit: [m]
         extended_boundary:
             Extended boundary for each group. These values should be larger
-            than interface_x[-1].
+            than layer_x[-1].
         """
         # flux incident on the first wall at the highest energy.
         self.flux = flux
 
         # layers
-        self.interface_x = np.array(interface_x).ravel()
-        if not (np.diff(self.interface_x)>0).all():
+        self.layer_x = np.array(layer_x).ravel()
+        if not (np.diff(self.layer_x)>0).all():
             raise ValueError(
                 f"Model cannot have non-positive layer thicknesses."
             )
+
+        self.layer_x.flag.writeable = False
+        self.interface_x = np.array([0.0, *self.layer_x])
         self.interface_x.flag.writeable = False
+
         self.materials = tuple(materials)
-        if len(self.interface_x) != len(self.materials):
+        if len(self.layer_x) != len(self.materials):
             raise ProcessValidationError(
                 "The number of layers specified by self.materials must match "
-                "the number of x-positions specified by interface_x."
+                "the number of x-positions specified by layer_x."
             )
         self.n_layers = len(self.materials)
 
@@ -335,12 +355,12 @@ def solve_lowest_group(self) -> None:
                 mat.sigma_s[n, n],
                 mat.sigma_in[n, n],
             )
-        self.extended_boundary[n] = self.interface_x[-1] + extrapolation_length(
+        self.extended_boundary[n] = self.layer_x[-1] + extrapolation_length(
             self.diffusion_const[-1][n]
         )
         if self.n_layers == 2:
             l_fw, l_bz = np.sqrt(abs(self.l2[0][n])), np.sqrt(abs(self.l2[1][n]))
-            x_fw, = self.interface_x[:-1]
+            x_fw, = self.layer_x[:-1]
             d_fw, d_bz = self.diffusion_const[0][n], self.diffusion_const[1][n]
             if self.l2[0][n] > 0:
                 s_fw = np.sinh(x_fw / l_fw)
@@ -425,7 +445,7 @@ def solve_group_n(self, n: int) -> None:
                 mat.sigma_s[n, n],
                 mat.sigma_in[n, n],
             )
-        self.extended_boundary[n] = self.interface_x[-1] + extrapolation_length(
+        self.extended_boundary[n] = self.layer_x[-1] + extrapolation_length(
             self.diffusion_const[-1][n]
         )
 
@@ -498,7 +518,7 @@ def _evaluate_fit():
 
             # enforce continuity conditions
             for num_layer in range(self.n_layers - 1):
-                x = self.interface_x[num_layer]
+                x = self.layer_x[num_layer]
                 flux_continuity = self.groupwise_neutron_flux_in_layer(n, num_layer, x) - self.groupwise_neutron_flux_in_layer(n, num_layer + 1, x)
                 current_continuity = self.groupwise_neutron_current_in_layer(n, num_layer, x) - self.groupwise_neutron_current_in_layer(n, num_layer + 1, x)
             conditions.append(flux_continuity)
@@ -566,24 +586,19 @@ def groupwise_neutron_flux_at(
             Neutron group index. n <= n_groups - 1.
             Therefore n=0 shows the flux for group 1, n=1 for group 2, etc.
         x:
-            The depth where we want the neutron flux [m].
-            Valid only between x= -extended boundary to +-extended boundary of that group
-
-        Raises
-        ------
-        ValueError
-            The inputted x
+            The depth where we want the neutron flux [m]. Out-of-bounds x would
+            be clipped back to bound.
         """
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
-        x = np.clip(np.asarray(x), -self.interface_x[-1], self.interface_x[-1])
+        x = np.clip(np.asarray(x), -self.layer_x[-1], self.layer_x[-1])
 
         out_flux = np.zeros_like(x)
         abs_x = abs(x)
-        x_cutoffs = [0, *self.interface_x]
-        x_cutoffs[-1] = np.nextafter(x_cutoffs[-1], np.inf)
-        for num_layer, (lower_x, upper_x) in enumerate(pairwise(x_cutoffs)):
+        for num_layer, (xmin, xmax) in enumerate(pairwise(self.interface_x)):
             in_layer = lower_x <= abs_x < upper_x
+            if num_layer==(self.n_layers-1):
+                in_layer = lower_x <= abs_x <= upper_x
             if in_layer.any():
                 out_flux[in_layer] = self.groupwise_neutron_flux_in_layer(
                     n, num_layer, x[in_layer]
@@ -610,10 +625,10 @@ def groupwise_integrated_flux_in_layer(
         """
         integrals = []
         # set integration limits
-        x_start = self.interface_x[num_layer-1]
+        x_start = self.layer_x[num_layer-1]
         if num_layer==0:
             x_start = 0.0
-        x_end = self.interface_x[num_layer]
+        x_end = self.layer_x[num_layer]
 
         for g in range(n + 1):
             l2g = self.l2[num_layer][g]
@@ -656,7 +671,6 @@ def groupwise_neutron_current_in_layer(
             The index of the layer that we want to get the neutron flux for.
         x:
             The depth where we want the neutron flux [m].
-            Valid only between x= -extended boundary to +-extended boundary of that group
         """
         differentials = []
         for g in range(n + 1):
@@ -701,24 +715,19 @@ def groupwise_neutron_current_at(
             Neutron group index. n <= n_groups - 1.
             Therefore n=0 shows the neutron current for group 1, n=1 for group 2, etc.
         x:
-            The depth where we want the neutron flux [m].
-            Valid only between x= -extended boundary to +-extended boundary of that group
-
-        Raises
-        ------
-        ValueError
-            The inputted x
+            The depth where we want the neutron current [m]. Out-of-bounds x
+            would be clipped back to bound.
         """
         if np.isscalar(x):
             return self.groupwise_neutron_flux_at(n, [x])[0]
-        x = np.clip(np.asarray(x), -self.interface_x[-1], self.interface_x[-1])
+        x = np.clip(np.asarray(x), -self.layer_x[-1], self.layer_x[-1])
 
         current = np.zeros_like(x)
         abs_x = abs(x)
-        x_cutoffs = [0, *self.interface_x]
-        x_cutoffs[-1] = np.nextafter(x_cutoffs[-1], np.inf)
-        for num_layer, (lower_x, upper_x) in enumerate(pairwise(x_cutoffs)):
+        for num_layer, (xmin, xmax) in enumerate(pairwise(self.interface_x)):
             in_layer = lower_x <= abs_x < upper_x
+            if num_layer==(self.n_layers-1):
+                in_layer = lower_x <= abs_x <= upper_x
             if in_layer.any():
                 current[in_layer] = self.groupwise_neutron_current_in_layer(
                     n, num_layer, x[in_layer]
@@ -726,21 +735,29 @@ def groupwise_neutron_current_at(
         return current
 
     @summarize_values
-    def groupwise_neutron_current_fw2bz(self, n: int) -> float:
+    def groupwise_neutron_current_through_interface(self, n: int, n_interface: int, calculate_by_inner_layer : bool=True) -> float:
         """
-        Net current from the first wall to breeding zone.
+        Net current from left to right on the positive side of the model, at
+        the specified interface number.
+
         Parameters
         ----------
         n:
             The index of the neutron group that we want the current for. n <= n_groups - 1.
             Therefore n=0 shows the neutron current for group 1, n=1 for group 2, etc.
+        n_interface:
+            The index of the interface that we want the net neutron current
+            through for.
 
         Returns
         -------
         :
             current in m^-2
         """
-        return self.groupwise_neutron_current_bz(n, self.x_fw)
+        if calculate_by_inner_layer:
+            return self.groupwise_neutron_current_in_layer(n, n_interface, self.interface_x[n_interface])
+        else:
+            return self.groupwise_neutron_current_in_layer(n, n_interface, self.interface_x[n_interface])
 
     @summarize_values
     def groupwise_neutron_current_escaped(self, n: int) -> float:
@@ -757,7 +774,7 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
         :
             current in m^-2
         """
-        return self.groupwise_neutron_current_bz(n, self.x_bz)
+        return self.groupwise_neutron_current_through_interface(n, self.n_layers, True)
 
     def plot_flux(
         self,

From 57e83d50e0db08a895a0b5faeb6039710a21c832 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 21 Nov 2025 18:29:47 +0000
Subject: [PATCH 71/98] Fixed the various off-by-one errors deliberately
 introduced a couple of commits ago (because I was in a hurry) in
 groupwise_neutron_current_through_interface

---
 process/neutronics.py | 23 +++++++++++++++++------
 1 file changed, 17 insertions(+), 6 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index ad2a1e4067..468f36cf04 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -735,7 +735,7 @@ def groupwise_neutron_current_at(
         return current
 
     @summarize_values
-    def groupwise_neutron_current_through_interface(self, n: int, n_interface: int, calculate_by_inner_layer : bool=True) -> float:
+    def groupwise_neutron_current_through_interface(self, n: int, n_interface: int, default_to_inner_layer : bool=True) -> float:
         """
         Net current from left to right on the positive side of the model, at
         the specified interface number.
@@ -748,16 +748,27 @@ def groupwise_neutron_current_through_interface(self, n: int, n_interface: int,
         n_interface:
             The index of the interface that we want the net neutron current
             through for.
+            E.g. for n_interface=0, that would be getting the current at the
+            plasma-fw interface. For n_interface=n_layers, that would be
+            getting the neutron current leaking from the final layer into the void.
 
         Returns
         -------
         :
             current in m^-2
         """
-        if calculate_by_inner_layer:
-            return self.groupwise_neutron_current_in_layer(n, n_interface, self.interface_x[n_interface])
+        x = self.interface_x[n_interface]
+
+        if default_to_inner_layer:
+            if n_interface==0:
+                return self.groupwise_neutron_current_in_layer(n, 0, x)
+            return self.groupwise_neutron_current_in_layer(n, n_interface-1, x)
         else:
-            return self.groupwise_neutron_current_in_layer(n, n_interface, self.interface_x[n_interface])
+            if n_interface==self.n_layers:
+                return self.groupwise_neutron_current_in_layer(
+                    n, self.n_layers-1, x
+                )
+            return self.groupwise_neutron_current_in_layer(n, n_interface, x)
 
     @summarize_values
     def groupwise_neutron_current_escaped(self, n: int) -> float:
@@ -774,9 +785,9 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
         :
             current in m^-2
         """
-        return self.groupwise_neutron_current_through_interface(n, self.n_layers, True)
+        return self.groupwise_neutron_current_through_interface(n, self.n_layers)
 
-    def plot_flux(
+    def plot(
         self,
         ax: plt.Axes | None = None,
         n_points: int = 100,

From 202efba124fc3f0e62ca93a2cf16e86e67057b0c Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Fri, 21 Nov 2025 19:04:15 +0000
Subject: [PATCH 72/98] Completed conversion from 2-layer model to
 infinite-layer model. Cleanup successful: unit test and regression test
 (1-group regression test case only) passed. Only the plotting function
 remains to be fixed for this conversion to infinite-layer model.

---
 process/neutronics.py               | 20 +++++++++-------
 tests/regression/test_neutronics.py | 36 ++++++++++++++---------------
 tests/unit/test_neutronics.py       | 25 ++++++++++----------
 3 files changed, 42 insertions(+), 39 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 468f36cf04..fb28749c27 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -293,9 +293,9 @@ def __init__(
                 f"Model cannot have non-positive layer thicknesses."
             )
 
-        self.layer_x.flag.writeable = False
+        self.layer_x.flags.writeable = False
         self.interface_x = np.array([0.0, *self.layer_x])
-        self.interface_x.flag.writeable = False
+        self.interface_x.flags.writeable = False
 
         self.materials = tuple(materials)
         if len(self.layer_x) != len(self.materials):
@@ -596,9 +596,9 @@ def groupwise_neutron_flux_at(
         out_flux = np.zeros_like(x)
         abs_x = abs(x)
         for num_layer, (xmin, xmax) in enumerate(pairwise(self.interface_x)):
-            in_layer = lower_x <= abs_x < upper_x
+            in_layer = xmin <= abs_x < xmax
             if num_layer==(self.n_layers-1):
-                in_layer = lower_x <= abs_x <= upper_x
+                in_layer = xmin <= abs_x <= xmax
             if in_layer.any():
                 out_flux[in_layer] = self.groupwise_neutron_flux_in_layer(
                     n, num_layer, x[in_layer]
@@ -725,9 +725,9 @@ def groupwise_neutron_current_at(
         current = np.zeros_like(x)
         abs_x = abs(x)
         for num_layer, (xmin, xmax) in enumerate(pairwise(self.interface_x)):
-            in_layer = lower_x <= abs_x < upper_x
+            in_layer = xmin <= abs_x < xmax
             if num_layer==(self.n_layers-1):
-                in_layer = lower_x <= abs_x <= upper_x
+                in_layer = xmin <= abs_x <= xmax
             if in_layer.any():
                 current[in_layer] = self.groupwise_neutron_current_in_layer(
                     n, num_layer, x[in_layer]
@@ -735,7 +735,9 @@ def groupwise_neutron_current_at(
         return current
 
     @summarize_values
-    def groupwise_neutron_current_through_interface(self, n: int, n_interface: int, default_to_inner_layer : bool=True) -> float:
+    def groupwise_neutron_current_through_interface(
+        self, n: int, n_interface: int, default_to_inner_layer : bool=True
+    ) -> float:
         """
         Net current from left to right on the positive side of the model, at
         the specified interface number.
@@ -785,7 +787,9 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
         :
             current in m^-2
         """
-        return self.groupwise_neutron_current_through_interface(n, self.n_layers)
+        return self.groupwise_neutron_current_through_interface(
+            n, self.n_layers
+        )
 
     def plot(
         self,
diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index ba13b2deee..d29d38ab94 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -32,20 +32,20 @@ def test_one_group():
     x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
     incoming_flux = 41
     neutron_profile = NeutronFluxProfile(
-        incoming_flux, x_fw, x_bz, fw_material, bz_material
+        incoming_flux, [x_fw, x_bz], [fw_material, bz_material]
     )
 
-    const = neutron_profile.coefficients[0]  # alias to fit line width
-    assert np.isclose(const.fw_c[0], 80.5346770788), "c5"
-    assert np.isclose(const.fw_s[0], -76.5562120985), "c6"
-    assert np.isclose(const.bz_c[0], 60.6871656017), "c7"
-    assert np.isclose(const.bz_s[0], -60.7123696772), "c8"
+    const = neutron_profile.coefficients  # alias to fit line width
+    assert np.isclose(const[0][0].c[0], 80.5346770788), "c5"
+    assert np.isclose(const[0][0].s[0], -76.5562120985), "c6"
+    assert np.isclose(const[1][0].c[0], 60.6871656017), "c7"
+    assert np.isclose(const[1][0].s[0], -60.7123696772), "c8"
 
-    assert np.isclose(neutron_profile.neutron_flux_fw(x_fw), 48.72444)
-    assert np.isclose(neutron_profile.neutron_flux_bz(x_fw), 48.72444)
+    assert np.isclose(neutron_profile.neutron_flux_in_layer(0, x_fw), 48.72444)
+    assert np.isclose(neutron_profile.neutron_flux_in_layer(1, x_fw), 48.72444)
     assert np.isclose(neutron_profile.neutron_flux_at(x_fw), 48.72444)
 
-    assert np.isclose(neutron_profile.neutron_current_fw2bz(), 22.3980214162)
+    assert np.isclose(neutron_profile.neutron_current_through_interface(1), 22.3980214162)
     assert np.isclose(neutron_profile.neutron_current_escaped(), 1.22047369356)
 
     fw_removal = sigma_fw_t - sigma_fw_s - fw_material.sigma_in[0, 0]
@@ -53,8 +53,8 @@ def test_one_group():
     assert np.isclose(
         neutron_profile.flux,
         neutron_profile.neutron_current_escaped()
-        + fw_removal * neutron_profile.integrated_flux_fw()
-        + bz_removal * neutron_profile.integrated_flux_bz(),
+        + fw_removal * neutron_profile.integrated_flux_in_layer(0)
+        + bz_removal * neutron_profile.integrated_flux_in_layer(1),
     ), "Conservation of neutrons"
 
 
@@ -89,9 +89,9 @@ def test_one_group_with_fission():
     x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
     incoming_flux = 41
     neutron_profile = NeutronFluxProfile(
-        incoming_flux, x_fw, x_bz, fw_material, bz_material
+        incoming_flux, [x_fw, x_bz], [fw_material, bz_material],
     )
-    assert np.isclose(neutron_profile.l_bz_2[0], -((58.2869567709 / 100) ** 2))
+    assert np.isclose(neutron_profile.l2[1][0], -((58.2869567709 / 100) ** 2))
     assert np.isclose(
         neutron_profile.neutron_flux_at(-4.79675 / 100), 159.9434
     ), "Minimum flux in FW"
@@ -105,11 +105,11 @@ def test_one_group_with_fission():
         neutron_profile.neutron_flux_at(-18.96382 / 100), 164.81245
     ), "Maximum flux in BZ"
     assert np.isclose(
-        neutron_profile.neutron_flux_fw(x_fw),
-        neutron_profile.neutron_flux_bz(x_fw),
+        neutron_profile.neutron_flux_in_layer(0, x_fw),
+        neutron_profile.neutron_flux_in_layer(1, x_fw),
     ), "Flux continuity assurance"
     assert np.isclose(
-        neutron_profile.neutron_current_fw2bz(), -7.6275782637960745
+        neutron_profile.neutron_current_through_interface(1), -7.6275782637960745
     ), "Negative current because BZ (breeding) is backflowing into the FW"
     assert np.isclose(
         neutron_profile.neutron_current_escaped(), 30.665951670177186
@@ -119,8 +119,8 @@ def test_one_group_with_fission():
     assert np.isclose(
         neutron_profile.flux,
         neutron_profile.neutron_current_escaped()
-        + fw_removal * neutron_profile.integrated_flux_fw()
-        + bz_removal * neutron_profile.integrated_flux_bz(),
+        + fw_removal * neutron_profile.integrated_flux_in_layer(0)
+        + bz_removal * neutron_profile.integrated_flux_in_layer(1),
     ), "Conservation of neutrons"
 
 
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 6c4cbf14d0..76e01c1923 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -59,36 +59,35 @@ def test_has_local_fluxes():
     """Test that the groupwise decorator has worked on the local fluxes methods."""
     assert hasattr(NeutronFluxProfile, "neutron_flux_at")
     assert hasattr(NeutronFluxProfile, "groupwise_neutron_flux_at")
-    assert hasattr(NeutronFluxProfile, "neutron_flux_fw")
-    assert hasattr(NeutronFluxProfile, "groupwise_neutron_flux_fw")
-    assert hasattr(NeutronFluxProfile, "neutron_flux_bz")
-    assert hasattr(NeutronFluxProfile, "groupwise_neutron_flux_bz")
+    assert hasattr(NeutronFluxProfile, "neutron_flux_in_layer")
+    assert hasattr(NeutronFluxProfile, "groupwise_neutron_flux_in_layer")
 
 
 def test_has_boundary_current():
     """Test that the groupwise decorator has worked on the boundary fluxes methods."""
-    assert hasattr(NeutronFluxProfile, "groupwise_neutron_current_fw2bz")
-    assert hasattr(NeutronFluxProfile, "neutron_current_fw2bz")
+    assert hasattr(NeutronFluxProfile, "groupwise_neutron_current_through_interface")
+    assert hasattr(NeutronFluxProfile, "neutron_current_through_interface")
     assert hasattr(NeutronFluxProfile, "groupwise_neutron_current_escaped")
     assert hasattr(NeutronFluxProfile, "neutron_current_escaped")
 
 
 def test_has_reactions():
     """Test that the groupwise decorator has worked on the reactions methods."""
-    assert hasattr(NeutronFluxProfile, "groupwise_integrated_flux_fw")
-    assert hasattr(NeutronFluxProfile, "integrated_flux_fw")
-    assert hasattr(NeutronFluxProfile, "groupwise_integrated_flux_bz")
-    assert hasattr(NeutronFluxProfile, "integrated_flux_bz")
+    assert hasattr(NeutronFluxProfile, "groupwise_integrated_flux_in_layer")
+    assert hasattr(NeutronFluxProfile, "integrated_flux_in_layer")
 
 
+def test_has_plot():
+    assert hasattr(NeutronFluxProfile, "plot")
+
 def test_three_group():
     # 1. No negative flux
     dummy = [10000, 1000, 100, 1]
     # fw_mat = MaterialMacroInfo()
     bz_mat = MaterialMacroInfo
-    # 2. same L_1 and L_3 shoudl yield coefficients[2].fw_c[0] and
-    # coefficients[2].fw_s[0] = 0.0
-    # self.l_fw_2 == self.l_fw_2[n] case.
+    # 2. same L_1 and L_3 shoudl yield coefficients[0][2].c[0] and
+    # coefficients[0][2].s[0] = 0.0
+    # self.l2[0][n] == self.l2[1][n] case.
     #
 
 

From 85371d22139e01ef27c9b447a5d93e3d32c3ae56 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sat, 22 Nov 2025 01:35:12 +0000
Subject: [PATCH 73/98] Added new class LayerSpecificGroupwiseConstants to
 encapsulate the behaviour of (NeutronFluxProfile.coefficients,
 NeutronFluxProfile.l2, NeutronFluxProfile.diffusion_const)

---
 process/neutronics.py               | 203 +++++++++++++++++++---------
 tests/regression/test_neutronics.py |  10 +-
 tests/unit/test_neutronics.py       |  19 ++-
 3 files changed, 165 insertions(+), 67 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index fb28749c27..15570ad6a7 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -136,14 +136,14 @@ class Coefficients:
     group n=0 has cosh(x/L[0]) and sinh(x/L[0]),
     group n=1 has cosh(x/L[0]), sinh(x/L[0]), cosh(x/L[1]) and sinh(x/L[1]),
     etc.
-    To get the neutron flux, each trig func has to be scaled by a coeffient.
+    To get the neutron flux, each trig func has to be scaled by a coefficient.
     E.g. Let's say for the first wall, which is num_layer=0,
-    group n=0: NeutronFluxProfile.coefficients[0][0] = Coefficients(...)
-        fw_grp0 = NeutronFluxProfile.coefficients[0][0]
+    group n=0: NeutronFluxProfile.coefficients[0, 0] = Coefficients(...)
+        fw_grp0 = NeutronFluxProfile.coefficients[0, 0]
         flux = fw_grp0.c[0] * cosh(x/L[0]) + fw_grp0.s[0] * sinh(x/L[0])
     
-    group n=1: NeutronFluxProfile.coefficients[0][1] = Coefficients(...)
-        fw_grp1 = NeutronFluxProfile.coefficients[0][1]
+    group n=1: NeutronFluxProfile.coefficients[0, 1] = Coefficients(...)
+        fw_grp1 = NeutronFluxProfile.coefficients[0, 1]
         flux = fw_grp1.c[0] * cosh(x/L[0]) + fw_grp1.c[1] * cosh(x/L[1])
                 + fw_grp1.s[0] * sinh(x/L[0]) + fw_grp1.s[1] * sinh(x/L[1])
 
@@ -222,6 +222,93 @@ def values(self):
     def __repr__(self):
         return f"AutoPopulatingDict({self.name}):{self._dict}"
 
+class LayerSpecificGroupwiseConstants:
+    """An object containing multiple AutoPopulatingDict"""
+    def __init__(self, populating_method: Callable[[int], None], layer_names: list[str], quantity_description: str):
+        """
+        Create an object that contains as many AutoPopulatingDict as there are
+        items in layer_names.
+
+        Parameters
+        ----------
+        populating_method:
+            The method to be called if the requested index n in any one of the
+            AutoPopulatingDict is currently unpopulated. This method should
+            populate that dictionary.
+        layer_names:
+            A list of strings, each of which is the descriptive name for that
+            layer. While the actual content in each string could be empty,
+            the length of this list MUST be equal to the total number
+            of dictionaries required.
+        quantity_description:
+            A name to be given to this specific instance of the class, to help
+            label what quantity is being stored.
+        """
+        self._name = quantity_description
+        layer_dicts = []
+        for num_layer, _layer_name in enumerate(layer_names):
+            name = f"{self._name} for layer {num_layer}"
+            if _layer_name:
+                name += f":{_layer_name}"
+            layer_dicts.append(AutoPopulatingDict(populating_method, name))
+        self._dicts = tuple(layer_dicts)
+        self.n_layers = len(self._dicts)
+
+    def __iter__(self):
+        return self._dicts.__iter__()
+
+    def __len__(self) -> int:
+        return len(self._dicts)
+        
+    def __setitem__(self, index: int | tuple[int, int], value):
+        """
+        Act as if this is a 2D array, where the first-axis is the layer and the
+        second axis is the group. support slice of the thing, 
+        """
+        if isinstance(index, tuple) and len(index)>=2:
+            if len(index)>2:
+                raise IndexError("2D array indexed with more than 2 indices!")
+            layer_index, group_index = index
+            self._dicts[layer_index][group_index] = value
+        else:
+            super().__setitem__(index, value)
+
+    def __getitem__(self, index: int | tuple[int, int]):
+        """
+        Act as if this is a 2D array, where the first-axis is the layer and the
+        second axis is the group. Handle slices as well.
+        """
+        if isinstance(index, tuple) and len(index)>=2:
+            if len(index)>2:
+                raise IndexError("2D array indexed with more than 2 indices!")
+            layer_index, group_index = index
+            if isinstance(layer_index, slice):
+                return tuple(
+                    [_dict[group_index] for _dict in self._dicts[layer_index]]
+                )
+            return self._dicts[layer_index][group_index]
+        return self._dicts[index]
+
+    def has_populated(self, n: int) -> bool:
+        """
+        Check if group n's constants are populated for every layer's dict.
+
+        Parameter
+        ---------
+        n:
+            group number to check the population status of every layer's dict.
+
+
+        Returns
+        -------
+        :
+            Whether group n's constants are poplated across all dictionaries
+            stored by the current instance.
+        """
+        return all(n in layer_dict for layer_dict in self._dicts)
+
+    def __repr__(self):
+        return f"A tuple of {self.n_layers} layers of {self._name}"
 
 class NeutronFluxProfile:
     """
@@ -317,23 +404,17 @@ def __init__(
         self.n_groups = fw_mat.n_groups
         self.group_structure = fw_mat.group_structure
 
-        trig_coefs, l2, d_coef = [], [], []
-        for num_layer, mat in enumerate(self.materials):
-            c_name = f"Coefficients for layer {num_layer}"
-            l_name = f"characteristic diffusion length for layer {num_layer}"
-            d_name = f"Diffusion coefficient D for layer {num_layer}"
-            if mat.name:
-                c_name += f":{mat.name}"
-                l_name += f":{mat.name}"
-                d_name += f":{mat.name}"
-            trig_coefs.append(AutoPopulatingDict(self.solve_group_n, c_name))
-            l2.append(AutoPopulatingDict(self.solve_group_n, l_name))
-            d_coef.append(AutoPopulatingDict(self.solve_group_n, d_name))
-
-        self.coefficients = tuple(trig_coefs)
-        self.l2 = tuple(l2)
-        self.diffusion_const = tuple(d_coef)
-        # diffusion lengths squared
+        mat_name_list = [mat.name for mat in self.materials]
+        self.coefficients = LayerSpecificGroupwiseConstants(
+            self.solve_group_n, mat_name_list, "Coefficients"
+        )
+        self.l2 = LayerSpecificGroupwiseConstants(
+            self.solve_group_n, mat_name_list,
+            "Characteristic diffusion length squared"
+        )
+        self.diffusion_const = LayerSpecificGroupwiseConstants(
+            self.solve_group_n, mat_name_list, "Diffusion coefficient D"
+        )
         self.extended_boundary = AutoPopulatingDict(
             self.solve_group_n, "extended_boundary"
         )
@@ -341,28 +422,28 @@ def __init__(
     def solve_lowest_group(self) -> None:
         """
         Solve the highest-energy (lowest-lethargy)-group's neutron diffusion equation.
-        Store the solved constants in self.extended_boundary[0], self.l2[*][0],
-        and self.coefficients[*][0].
+        Store the solved constants in self.extended_boundary[0], self.l2[:, 0],
+        and self.coefficients[:, 0].
         self.coefficients each have units of [m^-2 s^-1].
         """
         n = 0
-        if all(n in layer_coefs for layer_coefs in self.coefficients):
+        if self.coefficients.has_populated(n):
             return  # skip if it has already been solved.
         for num_layer, mat in enumerate(self.materials):
-            self.diffusion_const[num_layer][n], self.l2[num_layer][n] = get_diffusion_coefficient_and_length(
+            self.diffusion_const[num_layer, n], self.l2[num_layer, n] = get_diffusion_coefficient_and_length(
                 mat.avg_atomic_mass,
                 mat.sigma_t[n],
                 mat.sigma_s[n, n],
                 mat.sigma_in[n, n],
             )
         self.extended_boundary[n] = self.layer_x[-1] + extrapolation_length(
-            self.diffusion_const[-1][n]
+            self.diffusion_const[-1, n]
         )
         if self.n_layers == 2:
-            l_fw, l_bz = np.sqrt(abs(self.l2[0][n])), np.sqrt(abs(self.l2[1][n]))
+            l_fw, l_bz = np.sqrt(abs(self.l2[0, n])), np.sqrt(abs(self.l2[1, n]))
             x_fw, = self.layer_x[:-1]
-            d_fw, d_bz = self.diffusion_const[0][n], self.diffusion_const[1][n]
-            if self.l2[0][n] > 0:
+            d_fw, d_bz = self.diffusion_const[0, n], self.diffusion_const[1, n]
+            if self.l2[0, n] > 0:
                 s_fw = np.sinh(x_fw / l_fw)
                 c_fw = np.cosh(x_fw / l_fw)
                 t_fw = np.tanh(x_fw / l_fw)
@@ -370,7 +451,7 @@ def solve_lowest_group(self) -> None:
                 s_fw = np.sin(x_fw / l_fw)
                 c_fw = np.cos(x_fw / l_fw)
                 t_fw = np.tan(x_fw / l_fw)
-            if self.l2[1][n] > 0:
+            if self.l2[1, n] > 0:
                 c_bz = np.cosh(self.extended_boundary[n] / l_bz)
                 s_bz = np.sinh(self.extended_boundary[n] / l_bz)
                 c_bz_mod = np.cosh((self.extended_boundary[n] - x_fw) / l_bz)
@@ -400,8 +481,8 @@ def solve_lowest_group(self) -> None:
             bz_c_factor = bz_common_factor * s_bz
             bz_s_factor = -bz_common_factor * c_bz
 
-            self.coefficients[0][n] = Coefficients([fw_c_factor], [fw_s_factor])
-            self.coefficients[1][n] = Coefficients([bz_c_factor], [bz_s_factor])
+            self.coefficients[0, n] = Coefficients([fw_c_factor], [fw_s_factor])
+            self.coefficients[1, n] = Coefficients([bz_c_factor], [bz_s_factor])
         else:
             raise NotImplementedError("Only implemented 2 groups so far.")
         return
@@ -410,7 +491,7 @@ def solve_group_n(self, n: int) -> None:
         """
         Solve the n-th group of neutron's diffusion equation, where n <=
         n_groups-1. Store the solved constants in self.extended_boundary[n-1],
-        self.l2[*][n-1], and self.coefficients[*][n-1].
+        self.l2[:, n-1], and self.coefficients[:, n-1].
 
         Parameters
         ----------
@@ -427,26 +508,26 @@ def solve_group_n(self, n: int) -> None:
             return self.solve_lowest_group()
         # ensure all lower groups are solved.
         for k in range(n):
-            if not all(k in layer_coefs for layer_coefs in self.coefficients):
+            if not self.coefficients.has_populated(k):
                 self.solve_group_n(k)
         if not all(mat.downscatter_only for mat in self.materials):
             raise NotImplementedError(
                 "Will implement solve_group_n in a loop later..."
             )
-        if all(n in layer_coefs for layer_coefs in self.coefficients):
+        if self.coefficients.has_populated(n):
             return None  # skip if it has already been solved.
         # Parameter to be changed later, to allow solving non-down-scatter
         # only systems by iterating.
         first_iteration = True
         for num_layer, mat in enumerate(self.materials):
-            self.diffusion_const[num_layer][n], self.l2[num_layer][n] = get_diffusion_coefficient_and_length(
+            self.diffusion_const[num_layer, n], self.l2[num_layer, n] = get_diffusion_coefficient_and_length(
                 mat.avg_atomic_mass,
                 mat.sigma_t[n],
                 mat.sigma_s[n, n],
                 mat.sigma_in[n, n],
             )
         self.extended_boundary[n] = self.layer_x[-1] + extrapolation_length(
-            self.diffusion_const[-1][n]
+            self.diffusion_const[-1, n]
         )
 
 
@@ -455,26 +536,26 @@ def solve_group_n(self, n: int) -> None:
             _coefs = Coefficients([], [])
             mat = self.materials[num_layer]
             src_matrix = mat.sigma_s + mat.sigma_in
-            diffusion_const_n = self.diffusion_const[num_layer][n]
+            diffusion_const_n = self.diffusion_const[num_layer, n]
             for g in range(n):
                 # if the characteristic length of group [g] coincides with the
                 # characteristic length of group [n], then that particular
                 # cosh/sinh would be indistinguishable from group [n]'s
                 # cosh/sinh anyways, therefore we can set the coefficient to 0.
                 scale_factor = 0.0
-                l2n, l2g = self.l2[num_layer][n], self.l2[num_layer][g]
+                l2n, l2g = self.l2[num_layer, n], self.l2[num_layer, g]
                 if not np.isclose(l2_diff:=(l2g - l2n), 0):
                     scale_factor = (l2n * l2g) / diffusion_const_n / l2_diff
                 _coefs.c.append(
                     sum(
-                        src_matrix[i, n] * self.coefficients[num_layer][i].c[g]
+                        src_matrix[i, n] * self.coefficients[num_layer, i].c[g]
                         for i in range(g, n)
                     )
                     * scale_factor
                 )
                 _coefs.s.append(
                     sum(
-                        src_matrix[i, n] * self.coefficients[num_layer][i].s[g]
+                        src_matrix[i, n] * self.coefficients[num_layer, i].s[g]
                         for i in range(g, n)
                     )
                     * scale_factor
@@ -484,14 +565,14 @@ def solve_group_n(self, n: int) -> None:
             s_factor_guess = 0.0
             _coefs.c.append(c_factor_guess)
             _coefs.s.append(s_factor_guess)
-            self.coefficients[num_layer][n] = _coefs
+            self.coefficients[num_layer, n] = _coefs
 
 
         def _set_coefficients(input_vector: Iterable[float]):
             for num_layer in range(self.n_layers):
                 i = num_layer * 2
-                self.coefficients[num_layer][n].c[n] = input_vector[i]
-                self.coefficients[num_layer][n].s[n] = input_vector[i+1]
+                self.coefficients[num_layer, n].c[n] = input_vector[i]
+                self.coefficients[num_layer, n].s[n] = input_vector[i+1]
 
         def _evaluate_fit():
             # zero flux condition 
@@ -561,14 +642,14 @@ def groupwise_neutron_flux_in_layer(
         """
         trig_funcs = []
         for g in range(n + 1):
-            if self.l2[num_layer][g] > 0:
+            if self.l2[num_layer, g] > 0:
                 c, s = np.cosh, np.sinh
-                l = np.sqrt(self.l2[num_layer][g])
+                l = np.sqrt(self.l2[num_layer, g])
             else:
                 c, s = np.cos, np.sin
-                l = np.sqrt(-self.l2[num_layer][g])
-            trig_funcs.append(self.coefficients[num_layer][n].c[g] * c(abs(x) / l))
-            trig_funcs.append(self.coefficients[num_layer][n].s[g] * s(abs(x) / l))
+                l = np.sqrt(-self.l2[num_layer, g])
+            trig_funcs.append(self.coefficients[num_layer, n].c[g] * c(abs(x) / l))
+            trig_funcs.append(self.coefficients[num_layer, n].s[g] * s(abs(x) / l))
         return np.sum(trig_funcs, axis=0)
 
 
@@ -631,25 +712,25 @@ def groupwise_integrated_flux_in_layer(
         x_end = self.layer_x[num_layer]
 
         for g in range(n + 1):
-            l2g = self.l2[num_layer][g]
+            l2g = self.l2[num_layer, g]
             if l2g > 0:
                 l = np.sqrt(l2g)
                 integrals.append(
-                    l * self.coefficients[num_layer][n].c[g]
+                    l * self.coefficients[num_layer, n].c[g]
                     * (np.sinh(x_end / l) - np.sinh(x_start / l))
                 )
                 integrals.append(
-                    l * self.coefficients[num_layer][n].s[g]
+                    l * self.coefficients[num_layer, n].s[g]
                     * (np.cosh(x_end / l) - np.cosh(x_start / l))
                 )
             else:
                 l = np.sqrt(-l2g)
                 integrals.append(
-                    l * self.coefficients[num_layer][n].c[g]
+                    l * self.coefficients[num_layer, n].c[g]
                     * (np.sin(x_end / l) - np.sin(x_start / l))
                 )
                 integrals.append(
-                    -l * self.coefficients[num_layer][n].s[g]
+                    -l * self.coefficients[num_layer, n].s[g]
                     * (np.cos(x_end / l) - np.cos(x_start / l))
                 )
         return np.sum(integrals, axis=0)
@@ -674,32 +755,32 @@ def groupwise_neutron_current_in_layer(
         """
         differentials = []
         for g in range(n + 1):
-            l2g = self.l2[num_layer][g]
+            l2g = self.l2[num_layer, g]
             if l2g > 0:
                 l = np.sqrt(l2g)
                 differentials.append(
-                    self.coefficients[num_layer][n].c[g]
+                    self.coefficients[num_layer, n].c[g]
                     / l
                     * np.sinh(abs(x) / l)
                 )
                 differentials.append(
-                    self.coefficients[num_layer][n].s[g]
+                    self.coefficients[num_layer, n].s[g]
                     / l
                     * np.cosh(abs(x) / l)
                 )
             else:
                 l = np.sqrt(-l2g)
                 differentials.append(
-                    -self.coefficients[num_layer][n].c[g]
+                    -self.coefficients[num_layer, n].c[g]
                     / l
                     * np.sin(abs(x) / l)
                 )
                 differentials.append(
-                    self.coefficients[num_layer][n].s[g]
+                    self.coefficients[num_layer, n].s[g]
                     / l
                     * np.cos(abs(x) / l)
                 )
-        return -self.diffusion_const[num_layer][n] * np.sum(differentials, axis=0) * np.sign(x)
+        return -self.diffusion_const[num_layer, n] * np.sum(differentials, axis=0) * np.sign(x)
 
     @summarize_values
     def groupwise_neutron_current_at(
diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index d29d38ab94..eb376ed42b 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -36,10 +36,10 @@ def test_one_group():
     )
 
     const = neutron_profile.coefficients  # alias to fit line width
-    assert np.isclose(const[0][0].c[0], 80.5346770788), "c5"
-    assert np.isclose(const[0][0].s[0], -76.5562120985), "c6"
-    assert np.isclose(const[1][0].c[0], 60.6871656017), "c7"
-    assert np.isclose(const[1][0].s[0], -60.7123696772), "c8"
+    assert np.isclose(const[0, 0].c[0], 80.5346770788), "c5"
+    assert np.isclose(const[0, 0].s[0], -76.5562120985), "c6"
+    assert np.isclose(const[1, 0].c[0], 60.6871656017), "c7"
+    assert np.isclose(const[1, 0].s[0], -60.7123696772), "c8"
 
     assert np.isclose(neutron_profile.neutron_flux_in_layer(0, x_fw), 48.72444)
     assert np.isclose(neutron_profile.neutron_flux_in_layer(1, x_fw), 48.72444)
@@ -91,7 +91,7 @@ def test_one_group_with_fission():
     neutron_profile = NeutronFluxProfile(
         incoming_flux, [x_fw, x_bz], [fw_material, bz_material],
     )
-    assert np.isclose(neutron_profile.l2[1][0], -((58.2869567709 / 100) ** 2))
+    assert np.isclose(neutron_profile.l2[1, 0], -((58.2869567709 / 100) ** 2))
     assert np.isclose(
         neutron_profile.neutron_flux_at(-4.79675 / 100), 159.9434
     ), "Minimum flux in FW"
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 76e01c1923..ba6bad999e 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -1,7 +1,7 @@
 import pytest
 
 from process.exceptions import ProcessValidationError
-from process.neutronics import NeutronFluxProfile
+from process.neutronics import NeutronFluxProfile, LayerSpecificGroupwiseConstants, AutoPopulatingDict
 from process.neutronics_data import MaterialMacroInfo
 
 
@@ -54,6 +54,23 @@ def test_warn_up_elastic_scatter():
             [[0.5, 0.5], [1.0, 1.0]],
         )
 
+def test_throw_index_error():
+    layer_specific_const = LayerSpecificGroupwiseConstants(
+        lambda x: x, ["", ""], ["Dummy constants"]
+    )
+    with pytest.raises(IndexError):
+        layer_specific_const[0, 0, 0]
+    with pytest.raises(IndexError):
+        layer_specific_const[0, 0, 0] = 1
+
+def test_iter_and_len():
+    layer_specific_const = LayerSpecificGroupwiseConstants(
+        lambda x: x, ["", ""], ["Dummy constants"]
+    )
+    assert len(layer_specific_const) == 2
+    as_list = list(layer_specific_const)
+    assert len(as_list) == 2
+    assert isinstance(as_list[0], AutoPopulatingDict)
 
 def test_has_local_fluxes():
     """Test that the groupwise decorator has worked on the local fluxes methods."""

From 7ec56891d314961653e73155726e62357f94c0ef Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sat, 22 Nov 2025 17:26:16 +0000
Subject: [PATCH 74/98] Starting to fix plotting. Still need to verify that the
 layers' boundaries (i.e. interfaces) are properly drawn. Will need to make
 heating calculation method.

---
 process/neutronics.py | 249 +++++++++++++++++++++---------------------
 1 file changed, 123 insertions(+), 126 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 15570ad6a7..c0e70875ec 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -30,7 +30,7 @@ def summarize_values(func):
     if not (func.__name__.startswith("groupwise_") and "n" in func_params):
         raise ValueError(
             "The decorated method is designed to turn groupwise methods into "
-            "summed flux/reaction/current methods."
+            "flux/integrated flux/current methods."
         )
 
     @functools.wraps(func)
@@ -310,6 +310,14 @@ def has_populated(self, n: int) -> bool:
     def __repr__(self):
         return f"A tuple of {self.n_layers} layers of {self._name}"
 
+UNIT_LOOKUP = {
+    "integrated_flux": "m^-1 s^-1",
+    "reaction_rate": "m^-2 s^-1",
+    "flux": "m^-2 s^-1",
+    "current": "m^-2 s^-1",
+    "heating": "W m^-3",
+}
+
 class NeutronFluxProfile:
     """
     Calculate the neutron flux, neutron current, and neutron heating in the
@@ -780,7 +788,14 @@ def groupwise_neutron_current_in_layer(
                     / l
                     * np.cos(abs(x) / l)
                 )
-        return -self.diffusion_const[num_layer, n] * np.sum(differentials, axis=0) * np.sign(x)
+        def special_sign(x_values):
+            """Forces 0 to be +ve and -0.0 to be -ve."""
+            signs = np.sign(x_values)
+            are_zeros = x_values==0
+            neg_zeros = [str(z).startswith("-") for z in x_values[are_zeros]]
+            signs[are_zeros] = np.array(neg_zeros, dtype=float) * -2 + 1
+            return signs
+        return -self.diffusion_const[num_layer, n] * np.sum(differentials, axis=0) * special_sign(x)
 
     @summarize_values
     def groupwise_neutron_current_at(
@@ -817,7 +832,7 @@ def groupwise_neutron_current_at(
 
     @summarize_values
     def groupwise_neutron_current_through_interface(
-        self, n: int, n_interface: int, default_to_inner_layer : bool=True
+        self, n: int, n_interface: int, *, default_to_inner_layer : bool=True
     ) -> float:
         """
         Net current from left to right on the positive side of the model, at
@@ -872,163 +887,145 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
             n, self.n_layers
         )
 
+    @classmethod
+    def get_output_unit(cls, method) -> str | None:
+        """
+        Check a method's outputted quantity's unit
+        Parameters
+        ----------
+        method:
+            A method whose name we shall be inspecting and comparing against
+            UNIT_LOOKUP.
+        Returns
+        -------
+        :
+            If a match is found, return the unit as a string. Otherwise, return
+            None.
+        """
+        for quantity, unit in UNIT_LOOKUP.items():
+            if quantity in method.__name__:
+                return unit
+
     def plot(
         self,
+        quantity: str = "flux",
         ax: plt.Axes | None = None,
-        n_points: int = 100,
-        symmetric: bool = True,
+        *,
         plot_groups: bool = True,
-        quantity: str = "flux",
+        symmetric: bool = True,
+        n_points: int = 100,
     ):
         """
         Make a rough plot of the neutron flux.
 
         Parameters
         ----------
+        quantity:
+            Options of plotting which quantity: {"flux", "current", "heating"}.
         ax:
             A plt.Axes object to plot on.
         n_points:
-            number of points to be used for plotting.
+            Number of points to be used for plotting.
         symmetric:
-            Whether to plot from -x to x (symmetric), or from 0 to x (right side only.)
+            Whether to plot from -x to x (symmetric), or from 0 to x
+            (right side only.)
         plot_groups:
             Whether to plot each individual group's neutron flux.
             If True, a legend will be added to help label the groups.
-        quantity:
-            Options of plotting which quantity: {"flux", "current"}.
         """
-        self.solve_group_n(self.n_groups - 1)
         ax = ax or plt.axes()
+        method_name = f"neutron_{quantity}_in_layer"
+        total_function = getattr(self, method_name)
+        unit = self.get_output_unit(total_function)
+        ylabel = f"{quantity}({unit})"
 
-        x_bz_left, x_fw, x_bz_right = _generate_x_range(
+        if plot_groups:
+            groupwise_function = getattr(self, f"groupwise_{method_name}")
+        x_ranges = _generate_x_range(
+            self.interface_x.copy(),
             max(self.extended_boundary.values()),
-            n_points,
-            symmetric,
-            self.x_fw,
-        )
-        ax.plot(
-            x_bz_left,
-            self.neutron_flux_bz(x_bz_left),
-            color="black",
-            ls=(0, (3, 1, 1, 1)),
+            min_total_num_points=n_points,
+            symmetric=symmetric
         )
-        ax.plot(
-            x_fw,
-            self.neutron_flux_fw(x_fw),
-            label="total (FW)",
-            color="black",
-            ls="solid",
-        )
-        ax.plot(
-            x_bz_right,
-            self.neutron_flux_bz(x_bz_right),
-            color="black",
-            label="total (BZ)",
-            ls=(0, (3, 1, 1, 1)),
-        )
-
-        if plot_groups:
-            for n in range(self.n_groups):
-                x_bz_left, x_fw, x_bz_right = _generate_x_range(
-                    self.extended_boundary[n],
-                    n_points,
-                    symmetric,
-                    self.x_fw,
-                )
-                ax.plot(
-                    x_bz_left,
-                    self.neutron_flux_bz(x_bz_left),
-                    color=f"C{n}",
-                    ls=(0, (3, 1, 1, 1)),
-                )
-                ax.plot(
-                    x_fw,
-                    self.neutron_flux_fw(x_fw),
-                    label=f"group {n + 1} (FW)",
-                    color=f"C{n}",
-                    ls="solid",
-                )
-                ax.plot(
-                    x_bz_right,
-                    self.neutron_flux_bz(x_bz_right),
-                    label=f"group {n + 1} (BZ)",
-                    color=f"C{n}",
-                    ls=(0, (3, 1, 1, 1)),
-                )
+        for num_layer in range(self.n_layers):
+            if symmetric:
+                neg_x = next(x_ranges)
+                ax.plot(neg_x, total_function(num_layer, neg_x), color="black")
+            pos_x = next(x_ranges)
+            plot_dict = {"label": "total"} if num_layer==0 else {}
+            ax.plot(
+                pos_x, total_function(num_layer, pos_x),
+                color="black", **plot_dict,
+            )
+            if plot_groups:
+                for n in range(self.n_groups):
+                    if symmetric:
+                        ax.plot(
+                            neg_x, groupwise_function(n, num_layer, neg_x),
+                            color=f"C{n}"
+                        )
+                    plot_dict = {"label": f"group {n}"} if num_layer==0 else {}
+                    ax.plot(
+                        pos_x, groupwise_function(n, num_layer, pos_x),
+                        color=f"C{n}", **plot_dict,
+                    )
         ax.legend()
-        ax.set_title("Neutron flux profile")
+        ax.set_title(f"Neutron {quantity} profile")
         ax.set_xlabel("Distance from the plasma-fw interface [m]")
-        ax.set_ylabel("Neutron flux [m^-2 s^-1]")
+        ax.set_ylabel(ylabel)
+        
+        # plotting the interfaces for ease of comprehension.
+        ylims = ax.get_ylims()
+        for (xmin, xmax), mat in zip(pairwise(self.interface_x), self.materials):
+            ax.plot([xmin, xmin], ylims, color="black", ls="--")
+            ax.text([np.mean([xmin, xmax]), 0], mat.name)
+            ax.text([-np.mean([xmin, xmax]), 0], mat.name)
+        ax.plot([xmax, xmax], ylims, color="black", ls="--")
         return ax
 
 def _generate_x_range(
-    x_max: float,
-    approx_n_points: int,
+    interface_x: npt.NDArray[np.float64],
+    extended_boundary: float | None,
+    *,
+    min_total_num_points: int,
     symmetric: bool,
-    fw_bz_split_point: float | None = None,
 ):
-    """Helper function for finding the range of x-values to be plotted.
+    """Helper generator for finding the range of x-values to be plotted.
 
     Parameters
     ----------
-    x_max:
-        absolute value of the maximum x that we want to plot.
+    interface_x:
+        The x-coordinates of each interface. It should be all-positive, and
+        ascending only.
+    extended_boundary:
+        extended boundary
+    min_total_num_points:
+        Approximate number of points to be plotted. Increase this number to increase the resolution
     symmetric:
-        Whether we want to plot the negative side of the x-axis as well, forming
-        a symmetric plot.
-    approx_n_points:
-        number of points to be plotted.
-    fw_bz_split_point:
-        FW and BZ region splits at this distance. If provided, we generate separate
-        x ranges for the FW and BZ. [m]
+        Whether to return two copies (one negative, one positive) of x-ranges
+        per layer.
 
-    Returns
+    Yields
     -------
-    if (fw_bz_split_point, symmetric) = (float value, True):
-        x_range_bz_left:
-            The array of x-values to be used for plotting the left (negative)
-            side of bz. [m]
-        x_range_fw:
-            The array of x-values to be used for plotting both the left and
-            right sides of fw. [m]
-        x_range_bz_right:
-            The array of x-values to be used for plotting the right (positive)
-            side of bz. [m]
-    elif (fw_bz_split_point, symmetric) = (float value, False):
-        x_range_fw:
-            The array of x-values to be used for plotting the right (positive)
-            side of fw [m]
-        x_range_bz:
-            The array of x-values to be used for plotting the right (positive)
-            side of bz [m]
-    elif (fw_bz_split_point, symmetric) = (None, True):
-        x_range:
-            The array of x-values to be used for plotting both sides of the
-            neutron flux. [m]
-    else (fw_bz_split_point, symmetric) = (None, False):
-        x_range:
-            The array of x-values to be used for plotting the right (positive)
-            side neutron flux. [m]
+    :
+        A generator of x-coordinates used for plotting, each of which falls
+        within the limit of the xmin and xmax of that layer, forming a total
+        of a minimum of min_total_num_points.
+        If symmetric=True, then the number of numpy arrays in the list
+        = 2*n_layers, where out_x_range[0] and out_x_range[1] are for the
+        negative and positive sides of the first layer respectively;
+        out_x_range[2] and out_x_range[3] are for the negative and positive
+        sides of the second layer respectively.
+        Otherwise, the number of numpy arrays in the list = n_layers.
     """
-
-    if fw_bz_split_point is not None:
-        x_range = np.linspace(0, x_max, approx_n_points)
-        n_points_fw = (x_range < fw_bz_split_point).sum() + 1
-        n_points_bz = (x_range >= fw_bz_split_point).sum() + 1
-
+    full_x_range = np.linspace(
+        interface_x.min(), interface_x.max(), min_total_num_points
+    )
+    for num_layer, (xmin, xmax) in enumerate(pairwise(interface_x)):
+        num_points = np.logical_and(xmin<full_x_range, full_x_range<xmax).sum() + 2
+        layer_x_range = np.linspace(xmin, xmax, num_points)
+        if num_layer==(len(interface_x)-1):
+            layer_x_range = np.append(layer_x_range, abs(extended_boundary))
         if symmetric:
-            return (
-                np.linspace(-x_max, -fw_bz_split_point, n_points_bz),
-                np.linspace(
-                    -fw_bz_split_point, fw_bz_split_point, n_points_fw * 2 - 1
-                ),
-                np.linspace(fw_bz_split_point, x_max, n_points_bz),
-            )
-        return (
-            np.linspace(0, fw_bz_split_point, n_points_fw),
-            np.linspace(fw_bz_split_point, x_max, n_points_bz),
-        )
-
-    if symmetric:
-        return np.linspace(-x_max, x_max, approx_n_points * 2 - 1)
-    return np.linspace(0, x_max, approx_n_points)
+            yield -layer_x_range[::-1]
+        yield layer_x_range.copy()

From 7b6b87b39b711287140b16a3739e5b9c89c24a13 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sat, 22 Nov 2025 17:27:25 +0000
Subject: [PATCH 75/98] Slight name change

---
 tests/regression/test_neutronics.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index eb376ed42b..68cdb09351 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -35,11 +35,11 @@ def test_one_group():
         incoming_flux, [x_fw, x_bz], [fw_material, bz_material]
     )
 
-    const = neutron_profile.coefficients  # alias to fit line width
-    assert np.isclose(const[0, 0].c[0], 80.5346770788), "c5"
-    assert np.isclose(const[0, 0].s[0], -76.5562120985), "c6"
-    assert np.isclose(const[1, 0].c[0], 60.6871656017), "c7"
-    assert np.isclose(const[1, 0].s[0], -60.7123696772), "c8"
+    layer_group_coefs = neutron_profile.coefficients
+    assert np.isclose(layer_group_coefs[0, 0].c[0], 80.5346770788), "c5"
+    assert np.isclose(layer_group_coefs[0, 0].s[0], -76.5562120985), "c6"
+    assert np.isclose(layer_group_coefs[1, 0].c[0], 60.6871656017), "c7"
+    assert np.isclose(layer_group_coefs[1, 0].s[0], -60.7123696772), "c8"
 
     assert np.isclose(neutron_profile.neutron_flux_in_layer(0, x_fw), 48.72444)
     assert np.isclose(neutron_profile.neutron_flux_in_layer(1, x_fw), 48.72444)

From f16d433f4ed6b958f519820fcfbd8390fd3d52bd Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sat, 22 Nov 2025 18:42:49 +0000
Subject: [PATCH 76/98] Finished updating the plotting function, so at the
 moment it works for both flux and current, but not for heating yet.

---
 process/neutronics.py | 17 ++++++++++++-----
 1 file changed, 12 insertions(+), 5 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index c0e70875ec..6b578f5cb3 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -975,14 +975,21 @@ def plot(
         ax.set_ylabel(ylabel)
         
         # plotting the interfaces for ease of comprehension.
-        ylims = ax.get_ylims()
+        ylims = ax.get_ylim()
         for (xmin, xmax), mat in zip(pairwise(self.interface_x), self.materials):
-            ax.plot([xmin, xmin], ylims, color="black", ls="--")
-            ax.text([np.mean([xmin, xmax]), 0], mat.name)
-            ax.text([-np.mean([xmin, xmax]), 0], mat.name)
-        ax.plot([xmax, xmax], ylims, color="black", ls="--")
+            _plot_vertical_dotted_line(ax, xmin, ylims, symmetric=symmetric)
+            ax.text(np.mean([xmin, xmax]), 0, mat.name, ha="center", va="center")
+            if symmetric:
+                ax.text(-np.mean([xmin, xmax]), 0, mat.name, ha="center", va="center")
+        _plot_vertical_dotted_line(ax, xmax, ylims, symmetric=symmetric)
         return ax
 
+def _plot_vertical_dotted_line(ax, x, ylims, *, symmetric: bool=True):
+    if symmetric:
+        ax.plot([-x, -x], ylims, color="black", ls="--")
+    ax.plot([x, x], ylims, color="black", ls="--")
+    return None
+
 def _generate_x_range(
     interface_x: npt.NDArray[np.float64],
     extended_boundary: float | None,

From e3de8ecaddbb214009d0b3a5ffd86d830579ce78 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 23 Nov 2025 03:01:08 +0000
Subject: [PATCH 77/98] Simplified the sign extraction function

---
 process/neutronics.py         | 15 +++++++--------
 tests/unit/test_neutronics.py |  7 ++++++-
 2 files changed, 13 insertions(+), 9 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 6b578f5cb3..53ae06065a 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -788,14 +788,8 @@ def groupwise_neutron_current_in_layer(
                     / l
                     * np.cos(abs(x) / l)
                 )
-        def special_sign(x_values):
-            """Forces 0 to be +ve and -0.0 to be -ve."""
-            signs = np.sign(x_values)
-            are_zeros = x_values==0
-            neg_zeros = [str(z).startswith("-") for z in x_values[are_zeros]]
-            signs[are_zeros] = np.array(neg_zeros, dtype=float) * -2 + 1
-            return signs
-        return -self.diffusion_const[num_layer, n] * np.sum(differentials, axis=0) * special_sign(x)
+    
+        return -self.diffusion_const[num_layer, n] * np.sum(differentials, axis=0) * _get_sign_of(x)
 
     @summarize_values
     def groupwise_neutron_current_at(
@@ -984,6 +978,11 @@ def plot(
         _plot_vertical_dotted_line(ax, xmax, ylims, symmetric=symmetric)
         return ax
 
+def _get_sign_of(x_values):
+    """Forces 0 to be +ve and -0.0 to be -ve."""
+    negatives = np.signbit(x_values)
+    return np.array(negatives, dtype=float) * -2 + 1
+
 def _plot_vertical_dotted_line(ax, x, ylims, *, symmetric: bool=True):
     if symmetric:
         ax.plot([-x, -x], ylims, color="black", ls="--")
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index ba6bad999e..dda6605475 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -1,7 +1,8 @@
 import pytest
 
+import numpy as np
 from process.exceptions import ProcessValidationError
-from process.neutronics import NeutronFluxProfile, LayerSpecificGroupwiseConstants, AutoPopulatingDict
+from process.neutronics import NeutronFluxProfile, LayerSpecificGroupwiseConstants, AutoPopulatingDict, _get_sign_of
 from process.neutronics_data import MaterialMacroInfo
 
 
@@ -97,6 +98,10 @@ def test_has_reactions():
 def test_has_plot():
     assert hasattr(NeutronFluxProfile, "plot")
 
+def test_get_sign_func():
+    signs = _get_sign_of(np.array([-np.inf, -2, -1, -0.0, 0.0, 1.0, 2.0, np.inf]))
+    np.testing.assert_equal(signs, [-1, -1, -1, -1, 1, 1, 1, 1])
+
 def test_three_group():
     # 1. No negative flux
     dummy = [10000, 1000, 100, 1]

From 9b498f8e3fffe0d7b2be08f564bbdaa287bfb130 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 23 Nov 2025 04:58:38 +0000
Subject: [PATCH 78/98] Implemented an attribute to record the neutron energy;
 and changed units from eV to Joule

---
 process/neutronics.py      | 208 +++++++++++++++++++++++++++----------
 process/neutronics_data.py |   6 +-
 2 files changed, 155 insertions(+), 59 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 53ae06065a..7f37c1e9c0 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -332,14 +332,18 @@ def __init__(
         flux: float,
         layer_x: npt.NDArray[np.float64],
         materials: Iterable[MaterialMacroInfo],
+        init_neutron_energy: float = DT_NEUTRON_E,
     ):
         """Initialize a particular FW-BZ geometry and neutron flux.
 
         Parameters
         ----------
         flux:
-            Nuetron flux directly emitted by the plasma, incident on the first wall.
-            unit: m^-2 s^-1
+            Neutron flux directly emitted by the plasma, incident on the first
+            wall. unit: m^-2 s^-1
+        init_neutron_energy:
+            Neutron's initial energy when it first exit the plasma, before any
+            downscattering or reactions. unit: J.
         layer_x:
             The x-coordinates of the right side of every layers. By definition,
             the plasma is situated at x=0, so all values in layer_x must be >0.
@@ -364,6 +368,8 @@ def __init__(
             Number of groups in the group structure
         group_structure:
             Energy bin edges, 1D array of len = n_groups+1
+        energy:
+            The mean neutron energy of each group.
 
         coefficients:
             Coefficients that determine the flux shape (and therefore reaction
@@ -380,6 +386,7 @@ def __init__(
         """
         # flux incident on the first wall at the highest energy.
         self.flux = flux
+        self.init_neutron_energy = init_neutron_energy
 
         # layers
         self.layer_x = np.array(layer_x).ravel()
@@ -411,6 +418,9 @@ def __init__(
                 )
         self.n_groups = fw_mat.n_groups
         self.group_structure = fw_mat.group_structure
+        self.group_energy = self._calculate_mean_energy(
+            self.group_structure, self.init_neutron_energy
+        )
 
         mat_name_list = [mat.name for mat in self.materials]
         self.coefficients = LayerSpecificGroupwiseConstants(
@@ -427,6 +437,55 @@ def __init__(
             self.solve_group_n, "extended_boundary"
         )
 
+    @staticmethod
+    def _calculate_mean_energy(
+        group_structure: npt.NDArray[np.float64], init_neutron_e: float,
+    ) -> npt.NDArray[np.float64]:
+        """
+        Calculate the mean energy of each neutron group in Joule.
+        When implementing this method, we can choose either a weighted mean or
+        an unweighted mean. The weighted mean (where neutron flux is assumed
+        constant w.r.t. neutorn lethargy within the bin) is more accurate, but
+        may end up being incorrect if the bins in the group structure are too
+        wide, as it heavily biases towards lower energy. In contrast, the
+        simple unweighted mean does not have such problem, but is inconsistent
+        with the rest of the program's assumption (const. flux w.r.t. lethargy),
+        therefore the former is chosen.
+
+        Parameters
+        ----------
+        group_structure:
+            The neutron energy bin's edges, in descending order, with len=
+            n_groups + 1.
+        init_neutron_e:
+            The neutrons entering from the plasma to the FW is assumed to be
+            monoenergetic, with this energy.
+
+        Returns
+        -------
+        mean_neutron_e:
+            Mean energy of neutrons. The bin containing init_neutron_e
+            (likely the highest energy bin, i.e. bin[0]) is assumed to be
+            dominated by the unscattered neutrons entering from the plasma,
+            therefore it is 
+        """
+        high, low = group_structure[:-1], group_structure[1:]
+        weighted_mean = (high - low)/(np.log(high)- np.log(low))
+        # unweighted_mean = np.mean([high, low], axis=0)
+        first_bin = np.logical_and(high>init_neutron_e, init_neutron_e>=low)
+        if first_bin.sum()<1:
+            raise ValueError(
+                "The energy of neutrons incident from the plasma is not "
+                "captured by the group structure!"
+            )
+        elif first_bin.sum()>1:
+            raise ValueError(
+                "The energy of neutrons incident from the plasma is NOT captured by the group "
+                "structure!"
+            )
+        weighted_mean[first_bin] = init_neutron_e
+        return weighted_mean
+
     def solve_lowest_group(self) -> None:
         """
         Solve the highest-energy (lowest-lethargy)-group's neutron diffusion equation.
@@ -627,7 +686,7 @@ def objective(coefficients_vector):
     @summarize_values
     def groupwise_neutron_flux_in_layer(
         self, n: int, num_layer: int, x: float | npt.NDArray
-    ) -> npt.NDArray:
+    ) -> float | npt.NDArray:
         """
         Neutron flux[m^-2 s^-1] of the n-th group int h specified layer,
         at location x [m].
@@ -661,10 +720,19 @@ def groupwise_neutron_flux_in_layer(
         return np.sum(trig_funcs, axis=0)
 
 
+    @summarize_values
+    def groupwise_neutron_heating_in_layer(
+        self, n: int, num_layer: int, x: float | npt.NDArray
+    ) -> float | npt.NDArray:
+        return (
+            self.groupwise_linear_heating_density_in_layer(n, num_layer)
+            * self.groupwise_neutron_flux_in_layer(n, num_layer, x)
+        )
+
     @summarize_values
     def groupwise_neutron_flux_at(
         self, n: int, x: float | npt.NDArray
-    ) -> npt.NDArray:
+    ) -> float | npt.NDArray:
         """
         Neutron flux [m^-2 s^-1] anywhere. Neutron flux is assumed to be
         unperturbed once it leaves the final layer.
@@ -694,60 +762,10 @@ def groupwise_neutron_flux_at(
                 )
         return out_flux
 
-    # scalar values (one such float per neutron group.)
-    @summarize_values
-    def groupwise_integrated_flux_in_layer(
-        self, n: int, num_layer: int
-    ) -> float:
-        """
-        Calculate the integrated flux[m^-1 s^-1], which can be mulitplied to any
-        macroscopic cross-section [m^-1] to get the reaction rate [s^-1] in
-        any layer specified.
-
-        Parameters
-        ----------
-        n:
-            The index of the neutron group that needs to be solved. n <= n_groups - 1.
-            Therefore n=0 shows the integrated flux for group 1, n=1 for group 2, etc.
-        num_layer:
-            The index of the layer that we want to get the neutron flux for.
-        """
-        integrals = []
-        # set integration limits
-        x_start = self.layer_x[num_layer-1]
-        if num_layer==0:
-            x_start = 0.0
-        x_end = self.layer_x[num_layer]
-
-        for g in range(n + 1):
-            l2g = self.l2[num_layer, g]
-            if l2g > 0:
-                l = np.sqrt(l2g)
-                integrals.append(
-                    l * self.coefficients[num_layer, n].c[g]
-                    * (np.sinh(x_end / l) - np.sinh(x_start / l))
-                )
-                integrals.append(
-                    l * self.coefficients[num_layer, n].s[g]
-                    * (np.cosh(x_end / l) - np.cosh(x_start / l))
-                )
-            else:
-                l = np.sqrt(-l2g)
-                integrals.append(
-                    l * self.coefficients[num_layer, n].c[g]
-                    * (np.sin(x_end / l) - np.sin(x_start / l))
-                )
-                integrals.append(
-                    -l * self.coefficients[num_layer, n].s[g]
-                    * (np.cos(x_end / l) - np.cos(x_start / l))
-                )
-        return np.sum(integrals, axis=0)
-
-
     @summarize_values
     def groupwise_neutron_current_in_layer(
         self, n: int, num_layer: int, x: float | npt.NDArray
-    ) -> float:
+    ) -> float | npt.NDArray:
         """
         Get the neutron current (right=positive, left=negative) in any layer.
 
@@ -794,7 +812,7 @@ def groupwise_neutron_current_in_layer(
     @summarize_values
     def groupwise_neutron_current_at(
         self, n: int, x: float | npt.NDArray
-    ) -> npt.NDArray:
+    ) -> float | npt.NDArray:
         """
         Neutron current [m^-2 s^-1]. Neutron current is assumed to be
         unperturbed once it leaves the final layer.
@@ -881,6 +899,84 @@ def groupwise_neutron_current_escaped(self, n: int) -> float:
             n, self.n_layers
         )
 
+    # scalar values (one such float per neutron group, and per layer.)
+    @summarize_values
+    def groupwise_integrated_flux_in_layer(
+        self, n: int, num_layer: int
+    ) -> float:
+        """
+        Calculate the integrated flux[m^-1 s^-1], which can be mulitplied to any
+        macroscopic cross-section [m^-1] to get the reaction rate [s^-1] in
+        any layer specified.
+
+        Parameters
+        ----------
+        n:
+            The index of the neutron group that needs to be solved. n <= n_groups - 1.
+            Therefore n=0 shows the integrated flux for group 1, n=1 for group 2, etc.
+        num_layer:
+            The index of the layer that we want to get the neutron flux for.
+        """
+        integrals = []
+        # set integration limits
+        x_start = self.layer_x[num_layer-1]
+        if num_layer==0:
+            x_start = 0.0
+        x_end = self.layer_x[num_layer]
+
+        for g in range(n + 1):
+            l2g = self.l2[num_layer, g]
+            if l2g > 0:
+                l = np.sqrt(l2g)
+                integrals.append(
+                    l * self.coefficients[num_layer, n].c[g]
+                    * (np.sinh(x_end / l) - np.sinh(x_start / l))
+                )
+                integrals.append(
+                    l * self.coefficients[num_layer, n].s[g]
+                    * (np.cosh(x_end / l) - np.cosh(x_start / l))
+                )
+            else:
+                l = np.sqrt(-l2g)
+                integrals.append(
+                    l * self.coefficients[num_layer, n].c[g]
+                    * (np.sin(x_end / l) - np.sin(x_start / l))
+                )
+                integrals.append(
+                    -l * self.coefficients[num_layer, n].s[g]
+                    * (np.cos(x_end / l) - np.cos(x_start / l))
+                )
+        return np.sum(integrals, axis=0)
+
+    @summarize_values
+    def groupwise_integrated_heating_in_layer(
+        self, n: int, num_layer: int,
+    ) -> float:
+        """
+        How much neutron heating is 
+        """
+        return (
+            self.groupwise_linear_heating_density_in_layer(n, num_layer)
+            * self.groupwise_integrated_flux_in_layer(n, num_layer)
+        )
+
+    def groupwise_linear_heating_density_in_layer(
+        self, n: int, num_layer: int,
+    ) -> float:
+        """
+        All reactions that does not lead to scattering are assumed to have
+        the full energy of the neutron deposited into the material.
+        Obviously this contradicts the assumption of neutrons retaining some of
+        its energy in the n,2n reaction, but we hope this is a small enough
+        error that we can overlook it.
+        """
+        mat = self.materials[num_layer]
+        non_scatter_xs = mat.sigma_t[n] - mat.sigma_s[n,:].sum()
+        lost_energy = (
+            (self.group_energy[n] - self.group_energy) * mat.sigma_s[n,:]
+        ).sum()
+        return self.group_energy[n] * non_scatter_xs + lost_energy
+
     @classmethod
     def get_output_unit(cls, method) -> str | None:
         """
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index 80fd4daf1b..9675724418 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -402,9 +402,9 @@ def n2n_weight_matrix(
     ----------
     group_structure:
         the n+1 energy bin boundaries for the n neutron groups, in descending energies,
-        in eV.
+        in J.
     q_value:
-        the q-value of the reaction in eV.
+        the q-value of the reaction in J.
 
     Returns
     -------
@@ -462,7 +462,7 @@ class MaterialMacroInfo:
         e.g. [0,3] would be the cross-section for the proudction of group 4
         neutrons due to n,2n and fission reactions caused by group 1 neutrons.
     group_structure:
-        energy bin edges, 1D array of len = n+1, in eV.
+        energy bin edges, 1D array of len = n+1, in [J].
     avg_atomic_mass:
         average atomic mass (weighted by fraction)
     """

From 2345a2a52f463996bb91806d1d4e6df2a59e13fc Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 23 Nov 2025 05:05:14 +0000
Subject: [PATCH 79/98] Updated documentation and test

---
 process/neutronics.py         | 4 +++-
 process/neutronics_data.py    | 1 +
 tests/unit/test_neutronics.py | 2 ++
 3 files changed, 6 insertions(+), 1 deletion(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 7f37c1e9c0..ee830bbfc2 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -15,7 +15,7 @@
 from scipy import optimize
 
 from process.exceptions import ProcessValidationError, ProcessValueError
-from process.neutronics_data import MaterialMacroInfo
+from process.neutronics_data import MaterialMacroInfo, DT_NEUTRON_E
 
 
 def summarize_values(func):
@@ -960,6 +960,8 @@ def groupwise_integrated_heating_in_layer(
             * self.groupwise_integrated_flux_in_layer(n, num_layer)
         )
 
+    # Do NOT add a summarize_values decorator, as you can't add cross-sections
+    # from different groups together without first multiplying by flux to get reaction rate.
     def groupwise_linear_heating_density_in_layer(
         self, n: int, num_layer: int,
     ) -> float:
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index 9675724418..eff5bf2183 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -13,6 +13,7 @@
 N_A = Avogadro
 N2N_Q_VALUE = ...
 _ATOMIC_MASS = {}
+DT_NEUTRON_E = 14.06 * 1.602E-19
 
 
 def extract_atomic_mass(isotope: str) -> float:
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index dda6605475..52d44dd580 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -93,6 +93,8 @@ def test_has_reactions():
     """Test that the groupwise decorator has worked on the reactions methods."""
     assert hasattr(NeutronFluxProfile, "groupwise_integrated_flux_in_layer")
     assert hasattr(NeutronFluxProfile, "integrated_flux_in_layer")
+    assert hasattr(NeutronFluxProfile, "groupwise_integrated_heating_in_layer")
+    assert hasattr(NeutronFluxProfile, "integrated_heating_in_layer")
 
 
 def test_has_plot():

From 8888d1119a3619b9b8728e73b963b000c50b8a97 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 23 Nov 2025 12:13:25 +0000
Subject: [PATCH 80/98] Slight fixes to docstring, and fix to regression test
 dummy energies so they're still valid under the new units (J, instead of eV)

---
 process/neutronics.py               | 10 +++++++++-
 process/neutronics_data.py          |  5 +++--
 tests/regression/test_neutronics.py |  8 +++++---
 tests/unit/test_neutronics.py       |  6 +++++-
 4 files changed, 22 insertions(+), 7 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index ee830bbfc2..50164b25ae 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -1025,6 +1025,7 @@ def plot(
             Whether to plot each individual group's neutron flux.
             If True, a legend will be added to help label the groups.
         """
+        self.solve_group_n(self.n_groups - 1)
         ax = ax or plt.axes()
         method_name = f"neutron_{quantity}_in_layer"
         total_function = getattr(self, method_name)
@@ -1077,7 +1078,14 @@ def plot(
         return ax
 
 def _get_sign_of(x_values):
-    """Forces 0 to be +ve and -0.0 to be -ve."""
+    """
+    Get sign of any real number, but also forces 0.0 to be +ve and -0.0 to be -ve.
+    The neutron current for the first group (in a non-breeding/weakly breeding
+    scenario) is strongest at x=0, but have different signs when limit x-> 0^+
+    and limit x-> 0^-. This function allows the input x to behave like 0^+ when
+    it's =0.0 and like 0^- when it's =-0.0, giving the correct neutron current
+    at those locations, rather than setting the neutron current to zer0.
+    """
     negatives = np.signbit(x_values)
     return np.array(negatives, dtype=float) * -2 + 1
 
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index eff5bf2183..63ea13522d 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -13,7 +13,8 @@
 N_A = Avogadro
 N2N_Q_VALUE = ...
 _ATOMIC_MASS = {}
-DT_NEUTRON_E = 14.06 * 1.602E-19
+EV_TO_J = 1.602E-19
+DT_NEUTRON_E = 14.06 * EV_TO_J
 
 
 def extract_atomic_mass(isotope: str) -> float:
@@ -492,7 +493,7 @@ def __post_init__(self):
 
         if (self.group_structure <= 0).any():
             warnings.warn("Zero energy (inf. lethargy) not allowed.")
-            self.group_structure = np.clip(self.group_structure, 1e-9, np.inf)
+            self.group_structure = np.clip(self.group_structure, 1e-9 * EV_TO_J, np.inf)
         if (np.diff(self.group_structure) >= 0).any():
             raise ValueError(
                 "The group structure must be defined descendingly, from the "
diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 68cdb09351..543ac2d743 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -1,15 +1,17 @@
 import numpy as np
 
 from process.neutronics import NeutronFluxProfile
-from process.neutronics_data import MaterialMacroInfo
+from process.neutronics_data import MaterialMacroInfo, DT_NEUTRON_E, EV_TO_J
 
+max_E = DT_NEUTRON_E * 1.01
+min_E = 1E-9 * EV_TO_J
 
 def test_one_group():
     """
     Regression test against Desmos snapshot:
     https://www.desmos.com/calculator/18xojespuo
     """
-    dummy = [100, 1]  # dummy group structure
+    dummy = [max_E, min_E]  # dummy group structure
     # translate from mean-free-path lengths (mfp) to macroscopic cross-sections
     mfp_fw_s = 118 * 0.01  # [m]
     mfp_fw_t = 16.65 * 0.01  # [m]
@@ -64,7 +66,7 @@ def test_one_group_with_fission():
     https://www.desmos.com/calculator/cd830add9c
     Expecting a cosine-shape (dome shape!) of neutron flux profile.
     """
-    dummy = [100, 1]
+    dummy = [max_E, min_E]
     mfp_fw_s = 118 * 0.01  # [m]
     mfp_fw_t = 16.65 * 0.01  # [m]
     sigma_fw_t = 1 / mfp_fw_t  # [1/m]
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 52d44dd580..7bb9dc00a8 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -83,7 +83,11 @@ def test_has_local_fluxes():
 
 def test_has_boundary_current():
     """Test that the groupwise decorator has worked on the boundary fluxes methods."""
-    assert hasattr(NeutronFluxProfile, "groupwise_neutron_current_through_interface")
+    assert hasattr(NeutronFluxProfile, "groupwise_neutron_current_in_layer")
+    assert hasattr(NeutronFluxProfile, "neutron_current_in_layer")
+    assert hasattr(
+        NeutronFluxProfile, "groupwise_neutron_current_through_interface"
+    )
     assert hasattr(NeutronFluxProfile, "neutron_current_through_interface")
     assert hasattr(NeutronFluxProfile, "groupwise_neutron_current_escaped")
     assert hasattr(NeutronFluxProfile, "neutron_current_escaped")

From 0e7d4775bf39127868574888fe660eb654677b9b Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 23 Nov 2025 12:38:41 +0000
Subject: [PATCH 81/98] Docstring update for heating methods

---
 process/neutronics.py | 15 ++++++++++++++-
 1 file changed, 14 insertions(+), 1 deletion(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 50164b25ae..de814d6b99 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -724,6 +724,16 @@ def groupwise_neutron_flux_in_layer(
     def groupwise_neutron_heating_in_layer(
         self, n: int, num_layer: int, x: float | npt.NDArray
     ) -> float | npt.NDArray:
+        """
+        Calculate volumetric heating (unit: [W m^-3]) in the specified group
+        and layer.
+
+        We do not recommend manually integrating this curve by sampling points
+        in [self.interface_x[n], self.interface_x[n+1]] to get the total amount
+        of heating across this entire layer, per unit area. Instead, use
+        groupwise_integrated_heating_in_layer/ integrated_heating_in_layer,
+        which is faster and more accurate.
+        """
         return (
             self.groupwise_linear_heating_density_in_layer(n, num_layer)
             * self.groupwise_neutron_flux_in_layer(n, num_layer, x)
@@ -953,7 +963,10 @@ def groupwise_integrated_heating_in_layer(
         self, n: int, num_layer: int,
     ) -> float:
         """
-        How much neutron heating is 
+        The total amount of heat produced (per unit area) due to neutron
+        heating across the entire num_layer-th layer. unit: [W m^-2]. It should
+        yield the same result as integrating the curve neutron_heating_in_layer
+        from self.interface_x[n] to self.interface_x[n+1].
         """
         return (
             self.groupwise_linear_heating_density_in_layer(n, num_layer)

From 1ffe7110878aa4d4a4df9e6a7f8c277e227080bf Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 23 Nov 2025 13:14:45 +0000
Subject: [PATCH 82/98] Added test to ensure integration of the heating term is
 done correctly.

---
 tests/regression/test_neutronics.py | 37 +++++++++++++++++++++++++++++
 1 file changed, 37 insertions(+)

diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index 543ac2d743..fb732989dc 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -2,6 +2,8 @@
 
 from process.neutronics import NeutronFluxProfile
 from process.neutronics_data import MaterialMacroInfo, DT_NEUTRON_E, EV_TO_J
+from scipy.integrate import trapezoid
+from matplotlib import pyplot as plt
 
 max_E = DT_NEUTRON_E * 1.01
 min_E = 1E-9 * EV_TO_J
@@ -50,6 +52,7 @@ def test_one_group():
     assert np.isclose(neutron_profile.neutron_current_through_interface(1), 22.3980214162)
     assert np.isclose(neutron_profile.neutron_current_escaped(), 1.22047369356)
 
+
     fw_removal = sigma_fw_t - sigma_fw_s - fw_material.sigma_in[0, 0]
     bz_removal = sigma_bz_t - sigma_bz_s - bz_material.sigma_in[0, 0]
     assert np.isclose(
@@ -59,6 +62,23 @@ def test_one_group():
         + bz_removal * neutron_profile.integrated_flux_in_layer(1),
     ), "Conservation of neutrons"
 
+    x_fw = np.linspace(*neutron_profile.interface_x[0:2], 100000)
+    manually_integrated_heating_fw = trapezoid(
+        neutron_profile.neutron_heating_in_layer(0, x_fw), x_fw,
+    )
+    x_bz = np.linspace(*neutron_profile.interface_x[1:3], 100000)
+    manually_integrated_heating_bz = trapezoid(
+        neutron_profile.neutron_heating_in_layer(1, x_bz), x_bz,
+    )
+    assert np.isclose(
+        neutron_profile.integrated_heating_in_layer(0),
+        manually_integrated_heating_fw, atol=0, rtol=1E-8,
+    ), "Correctly integrated heating in FW"
+    assert np.isclose(
+        neutron_profile.integrated_heating_in_layer(1),
+        manually_integrated_heating_bz, atol=0, rtol=1E-8,
+    ), "Correctly integrated heating in BZ"
+
 
 def test_one_group_with_fission():
     """
@@ -118,12 +138,29 @@ def test_one_group_with_fission():
     ), "positive escaped current."
     fw_removal = sigma_fw_t - sigma_fw_s - fw_material.sigma_in[0, 0]
     bz_removal = sigma_bz_t - sigma_bz_s - bz_material.sigma_in[0, 0]
+
     assert np.isclose(
         neutron_profile.flux,
         neutron_profile.neutron_current_escaped()
         + fw_removal * neutron_profile.integrated_flux_in_layer(0)
         + bz_removal * neutron_profile.integrated_flux_in_layer(1),
     ), "Conservation of neutrons"
+    x_fw = np.linspace(*neutron_profile.interface_x[0:2], 100000)
+    manually_integrated_heating_fw = trapezoid(
+        neutron_profile.neutron_heating_in_layer(0, x_fw), x_fw,
+    )
+    x_bz = np.linspace(*neutron_profile.interface_x[1:3], 100000)
+    manually_integrated_heating_bz = trapezoid(
+        neutron_profile.neutron_heating_in_layer(1, x_bz), x_bz,
+    )
+    assert np.isclose(
+        neutron_profile.integrated_heating_in_layer(0),
+        manually_integrated_heating_fw, atol=0, rtol=1E-8,
+    ), "Correctly integrated heating in FW"
+    assert np.isclose(
+        neutron_profile.integrated_heating_in_layer(1),
+        manually_integrated_heating_bz, atol=0, rtol=1E-8,
+    ), "Correctly integrated heating in BZ"
 
 
 def test_two_groups():

From 7ec2666f19d715995992e1384e5c17229e336c44 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 23 Nov 2025 13:15:20 +0000
Subject: [PATCH 83/98] tested units output as well.

---
 process/neutronics.py         |  5 ++++-
 tests/unit/test_neutronics.py | 30 ++++++++++++++++++++++++++++--
 2 files changed, 32 insertions(+), 3 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index de814d6b99..2668771159 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -312,6 +312,8 @@ def __repr__(self):
 
 UNIT_LOOKUP = {
     "integrated_flux": "m^-1 s^-1",
+    "integrated_heating": "W m^-2",
+    "linear_heating_density": "J m^-1",
     "reaction_rate": "m^-2 s^-1",
     "flux": "m^-2 s^-1",
     "current": "m^-2 s^-1",
@@ -979,6 +981,7 @@ def groupwise_linear_heating_density_in_layer(
         self, n: int, num_layer: int,
     ) -> float:
         """
+        unit: [J m^-1]
         All reactions that does not lead to scattering are assumed to have
         the full energy of the neutron deposited into the material.
         Obviously this contradicts the assumption of neutrons retaining some of
@@ -993,7 +996,7 @@ def groupwise_linear_heating_density_in_layer(
         return self.group_energy[n] * non_scatter_xs + lost_energy
 
     @classmethod
-    def get_output_unit(cls, method) -> str | None:
+    def get_output_unit(cls, method: Callable) -> str | None:
         """
         Check a method's outputted quantity's unit
         Parameters
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index 7bb9dc00a8..d145747e8f 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -3,7 +3,10 @@
 import numpy as np
 from process.exceptions import ProcessValidationError
 from process.neutronics import NeutronFluxProfile, LayerSpecificGroupwiseConstants, AutoPopulatingDict, _get_sign_of
-from process.neutronics_data import MaterialMacroInfo
+from process.neutronics_data import MaterialMacroInfo, DT_NEUTRON_E, EV_TO_J
+
+max_E = DT_NEUTRON_E * 1.01
+min_E = 1E-9 * EV_TO_J
 
 
 def test_group_structure_0_energy():
@@ -104,13 +107,36 @@ def test_has_reactions():
 def test_has_plot():
     assert hasattr(NeutronFluxProfile, "plot")
 
+def test_units():
+    nfp = NeutronFluxProfile
+    assert nfp.get_output_unit(nfp.groupwise_integrated_flux_in_layer)=="m^-1 s^-1"
+    assert nfp.get_output_unit(nfp.groupwise_integrated_heating_in_layer)=="W m^-2"
+    assert nfp.get_output_unit(nfp.groupwise_linear_heating_density_in_layer)=="J m^-1"
+    assert nfp.get_output_unit(nfp.groupwise_neutron_current_at)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.groupwise_neutron_current_escaped)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.groupwise_neutron_current_in_layer)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.groupwise_neutron_current_through_interface)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.groupwise_neutron_flux_at)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.groupwise_neutron_flux_in_layer)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.groupwise_neutron_heating_in_layer)=="W m^-3"
+    
+    assert nfp.get_output_unit(nfp.integrated_flux_in_layer)=="m^-1 s^-1"
+    assert nfp.get_output_unit(nfp.integrated_heating_in_layer)=="W m^-2"
+    assert nfp.get_output_unit(nfp.neutron_current_at)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.neutron_current_escaped)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.neutron_current_in_layer)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.neutron_current_through_interface)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.neutron_flux_at)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.neutron_flux_in_layer)=="m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.neutron_heating_in_layer)=="W m^-3"
+
 def test_get_sign_func():
     signs = _get_sign_of(np.array([-np.inf, -2, -1, -0.0, 0.0, 1.0, 2.0, np.inf]))
     np.testing.assert_equal(signs, [-1, -1, -1, -1, 1, 1, 1, 1])
 
 def test_three_group():
     # 1. No negative flux
-    dummy = [10000, 1000, 100, 1]
+    dummy = np.geomspace(max_E, min_E, 4)
     # fw_mat = MaterialMacroInfo()
     bz_mat = MaterialMacroInfo
     # 2. same L_1 and L_3 shoudl yield coefficients[0][2].c[0] and

From 4fb85191641e4ca1cb25bdf64f3d640d2188fe80 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Sun, 23 Nov 2025 23:41:13 +0000
Subject: [PATCH 84/98] Fixed the plot such that all discontinuity are
 minimized, and those discontinuity present are all justified (i.e. have
 physical meaning). This in turn updated the behaviour of some methods, and
 notably two new methods are added to calculate the heating in a per-layer
 fashion. Docstring updates as well.

---
 process/neutronics.py         | 163 ++++++++++++++++++++++++++--------
 tests/unit/test_neutronics.py |   9 +-
 2 files changed, 135 insertions(+), 37 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 2668771159..3597f5b7fa 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -314,7 +314,6 @@ def __repr__(self):
     "integrated_flux": "m^-1 s^-1",
     "integrated_heating": "W m^-2",
     "linear_heating_density": "J m^-1",
-    "reaction_rate": "m^-2 s^-1",
     "flux": "m^-2 s^-1",
     "current": "m^-2 s^-1",
     "heating": "W m^-3",
@@ -685,12 +684,27 @@ def objective(coefficients_vector):
         _set_coefficients(results.res)
         return None
 
+    def _check_if_in_layer(
+        self, x: npt.NDArray[np.float64], num_layer: int
+    ) -> npt.NDArray[bool]:
+        if num_layer==(self.n_layers-1):
+            return np.logical_and(
+                self.interface_x[num_layer]<=abs(x),
+                abs(x)<=self.interface_x[num_layer+1]
+            )
+        elif num_layer==self.n_layers:
+            return abs(x)>self.interface_x[-1]
+        return np.logical_and(
+            self.interface_x[num_layer]<=abs(x),
+            abs(x)<=self.interface_x[num_layer+1]
+        )
+
     @summarize_values
     def groupwise_neutron_flux_in_layer(
         self, n: int, num_layer: int, x: float | npt.NDArray
     ) -> float | npt.NDArray:
         """
-        Neutron flux[m^-2 s^-1] of the n-th group int h specified layer,
+        Neutron flux[m^-2 s^-1] of the n-th group in the specified layer,
         at location x [m].
 
         Parameters
@@ -709,6 +723,10 @@ def groupwise_neutron_flux_in_layer(
         flux:
             Neutron flux at x meter from the first wall.
         """
+        if num_layer==self.n_layers:
+            return self.groupwise_neutron_flux_in_layer(
+                n, self.n_layers-1, np.sign(x) * self.layer_x[-1]
+            )
         trig_funcs = []
         for g in range(n + 1):
             if self.l2[num_layer, g] > 0:
@@ -722,6 +740,39 @@ def groupwise_neutron_flux_in_layer(
         return np.sum(trig_funcs, axis=0)
 
 
+    @summarize_values
+    def groupwise_neutron_flux_at(
+        self, n: int, x: float | npt.NDArray
+    ) -> float | npt.NDArray:
+        """
+        Neutron flux [m^-2 s^-1] anywhere. Neutron flux is assumed to be
+        unperturbed once it leaves the final layer.
+
+        Parameters
+        ----------
+        n:
+            Neutron group index. n <= n_groups - 1.
+            Therefore n=0 shows the flux for group 1, n=1 for group 2, etc.
+        x:
+            The depth where we want the neutron flux [m]. Neutron flux at
+            infinity is assumed to be the same as the neutron flux at the
+            nearest layer-void interface. This is achieved by clipping all out-
+            of-bounds x back to the the nearest interface_x.
+        """
+        if np.isscalar(x):
+            return self.groupwise_neutron_flux_at(n, [x])[0]
+        x = np.asarray(x)
+
+        out_flux = np.zeros_like(x)
+        abs_x = abs(x)
+        for num_layer in range(self.n_layers + 1):
+            in_layer = self._check_if_in_layer(x, num_layer)
+            if in_layer.any():
+                out_flux[in_layer] = self.groupwise_neutron_flux_in_layer(
+                    n, num_layer, x[in_layer]
+                )
+        return out_flux
+
     @summarize_values
     def groupwise_neutron_heating_in_layer(
         self, n: int, num_layer: int, x: float | npt.NDArray
@@ -735,6 +786,22 @@ def groupwise_neutron_heating_in_layer(
         of heating across this entire layer, per unit area. Instead, use
         groupwise_integrated_heating_in_layer/ integrated_heating_in_layer,
         which is faster and more accurate.
+
+        Parameters
+        ----------
+        n:
+            Neutron group index. n <= n_groups - 1.
+            Therefore n=0 shows the flux for group 1, n=1 for group 2, etc.
+        num_layer:
+            The index of the layer that we want to get the neutron heating for.
+        x:
+            The depth where we want the neutron heating [m]. 
+    
+        Returns
+        -------
+        :
+            The neutron heating in that specific layer at position x, due to
+            group n's neutrons.
         """
         return (
             self.groupwise_linear_heating_density_in_layer(n, num_layer)
@@ -742,37 +809,41 @@ def groupwise_neutron_heating_in_layer(
         )
 
     @summarize_values
-    def groupwise_neutron_flux_at(
+    def groupwise_neutron_heating_at(
         self, n: int, x: float | npt.NDArray
     ) -> float | npt.NDArray:
         """
-        Neutron flux [m^-2 s^-1] anywhere. Neutron flux is assumed to be
-        unperturbed once it leaves the final layer.
+        Neutron heating [W m^-3] of the n-th group in the specified layer,
+        at location x [m].
 
         Parameters
         ----------
         n:
-            Neutron group index. n <= n_groups - 1.
-            Therefore n=0 shows the flux for group 1, n=1 for group 2, etc.
+            The index of the neutron group whose heating is being evaluated.
+            n <= n_groups - 1.
+            Therefore n=0 shows the heating for group 1, n=1 for group 2, etc.
+        num_layer:
+            The index of the layer that we want to get the neutron heating for.
         x:
-            The depth where we want the neutron flux [m]. Out-of-bounds x would
-            be clipped back to bound.
+            The position where the neutron heating has to be evaluated.
+
+        Returns
+        -------
+        heating:
+            Volumetric neutron heating due to group n's neutrons at x.
         """
         if np.isscalar(x):
-            return self.groupwise_neutron_flux_at(n, [x])[0]
-        x = np.clip(np.asarray(x), -self.layer_x[-1], self.layer_x[-1])
+            return groupwise_neutron_heating_at(n, num_layer, [x])[0]
 
-        out_flux = np.zeros_like(x)
+        out_heat = np.zeros_like(x)
         abs_x = abs(x)
-        for num_layer, (xmin, xmax) in enumerate(pairwise(self.interface_x)):
-            in_layer = xmin <= abs_x < xmax
-            if num_layer==(self.n_layers-1):
-                in_layer = xmin <= abs_x <= xmax
+        for num_layer in range(self.n_layers + 1):
+            in_layer = self._check_if_in_layer(x, num_layer)
             if in_layer.any():
-                out_flux[in_layer] = self.groupwise_neutron_flux_in_layer(
+                out_heat[in_layer] = self.groupwise_neutron_heating_in_layer(
                     n, num_layer, x[in_layer]
                 )
-        return out_flux
+        return out_heat
 
     @summarize_values
     def groupwise_neutron_current_in_layer(
@@ -787,10 +858,14 @@ def groupwise_neutron_current_in_layer(
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
             Therefore n=0 shows the integrated flux for group 1, n=1 for group 2, etc.
         num_layer:
-            The index of the layer that we want to get the neutron flux for.
+            The index of the layer that we want to get the neutron current for.
         x:
-            The depth where we want the neutron flux [m].
+            The depth where we want the neutron current [m].
         """
+        if num_layer==self.n_layers:
+            return self.groupwise_neutron_current_in_layer(
+                n, self.n_layers-1, np.sign(x) * self.layer_x[-1]
+            )
         differentials = []
         for g in range(n + 1):
             l2g = self.l2[num_layer, g]
@@ -835,19 +910,19 @@ def groupwise_neutron_current_at(
             Neutron group index. n <= n_groups - 1.
             Therefore n=0 shows the neutron current for group 1, n=1 for group 2, etc.
         x:
-            The depth where we want the neutron current [m]. Out-of-bounds x
-            would be clipped back to bound.
+            The depth where we want the neutron current [m]. Neutron current at
+            infinity is assumed to be the same as the neutron flux at the
+            nearest layer-void interface; this is achieved by clipping all out-
+            of-bounds x back to the the nearest interface_x.
         """
         if np.isscalar(x):
-            return self.groupwise_neutron_flux_at(n, [x])[0]
-        x = np.clip(np.asarray(x), -self.layer_x[-1], self.layer_x[-1])
+            return self.groupwise_neutron_current_at(n, [x])[0]
+        x = np.asarray(x)
 
         current = np.zeros_like(x)
         abs_x = abs(x)
-        for num_layer, (xmin, xmax) in enumerate(pairwise(self.interface_x)):
-            in_layer = xmin <= abs_x < xmax
-            if num_layer==(self.n_layers-1):
-                in_layer = xmin <= abs_x <= xmax
+        for num_layer in range(self.n_layers + 1):
+            in_layer = self._check_if_in_layer(x, num_layer)
             if in_layer.any():
                 current[in_layer] = self.groupwise_neutron_current_in_layer(
                     n, num_layer, x[in_layer]
@@ -927,8 +1002,10 @@ def groupwise_integrated_flux_in_layer(
             The index of the neutron group that needs to be solved. n <= n_groups - 1.
             Therefore n=0 shows the integrated flux for group 1, n=1 for group 2, etc.
         num_layer:
-            The index of the layer that we want to get the neutron flux for.
+            The index of the layer that we want to get the integrated flux for.
         """
+        if num_layer==self.n_layers:
+            return np.nan
         integrals = []
         # set integration limits
         x_start = self.layer_x[num_layer-1]
@@ -970,6 +1047,8 @@ def groupwise_integrated_heating_in_layer(
         yield the same result as integrating the curve neutron_heating_in_layer
         from self.interface_x[n] to self.interface_x[n+1].
         """
+        if num_layer==self.n_layers:
+            return 0.0
         return (
             self.groupwise_linear_heating_density_in_layer(n, num_layer)
             * self.groupwise_integrated_flux_in_layer(n, num_layer)
@@ -988,6 +1067,8 @@ def groupwise_linear_heating_density_in_layer(
         its energy in the n,2n reaction, but we hope this is a small enough
         error that we can overlook it.
         """
+        if num_layer==self.n_layers:
+            return 0.0
         mat = self.materials[num_layer]
         non_scatter_xs = mat.sigma_t[n] - mat.sigma_s[n,:].sum()
         lost_energy = (
@@ -1021,6 +1102,7 @@ def plot(
         *,
         plot_groups: bool = True,
         symmetric: bool = True,
+        extend_plot_beyond_boundary: bool=True,
         n_points: int = 100,
     ):
         """
@@ -1052,11 +1134,11 @@ def plot(
             groupwise_function = getattr(self, f"groupwise_{method_name}")
         x_ranges = _generate_x_range(
             self.interface_x.copy(),
-            max(self.extended_boundary.values()),
+            max(self.extended_boundary.values()) if extend_plot_beyond_boundary else None,
             min_total_num_points=n_points,
             symmetric=symmetric
         )
-        for num_layer in range(self.n_layers):
+        for num_layer in range(self.n_layers + bool(extend_plot_beyond_boundary)):
             if symmetric:
                 neg_x = next(x_ranges)
                 ax.plot(neg_x, total_function(num_layer, neg_x), color="black")
@@ -1113,10 +1195,10 @@ def _plot_vertical_dotted_line(ax, x, ylims, *, symmetric: bool=True):
 
 def _generate_x_range(
     interface_x: npt.NDArray[np.float64],
-    extended_boundary: float | None,
+    extension_to_be_plotted: float | None=None,
     *,
-    min_total_num_points: int,
-    symmetric: bool,
+    min_total_num_points: int=100,
+    symmetric: bool=True,
 ):
     """Helper generator for finding the range of x-values to be plotted.
 
@@ -1152,8 +1234,17 @@ def _generate_x_range(
     for num_layer, (xmin, xmax) in enumerate(pairwise(interface_x)):
         num_points = np.logical_and(xmin<full_x_range, full_x_range<xmax).sum() + 2
         layer_x_range = np.linspace(xmin, xmax, num_points)
-        if num_layer==(len(interface_x)-1):
-            layer_x_range = np.append(layer_x_range, abs(extended_boundary))
         if symmetric:
             yield -layer_x_range[::-1]
         yield layer_x_range.copy()
+
+    if extension_to_be_plotted:
+        if (extension_to_be_plotted<=interface_x).any():
+            raise ValueError(
+                "The extension_to_be_plotted must extend beyond all of the "
+                "layers' x-coordinates!"
+            )
+        layer_x_range = np.array([np.nextafter(xmax, np.inf), extension_to_be_plotted])
+        if symmetric:
+            yield -layer_x_range[::-1]
+        yield layer_x_range
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index d145747e8f..babc740276 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -96,13 +96,18 @@ def test_has_boundary_current():
     assert hasattr(NeutronFluxProfile, "neutron_current_escaped")
 
 
-def test_has_reactions():
+def test_has_reaction_rates():
     """Test that the groupwise decorator has worked on the reactions methods."""
     assert hasattr(NeutronFluxProfile, "groupwise_integrated_flux_in_layer")
     assert hasattr(NeutronFluxProfile, "integrated_flux_in_layer")
     assert hasattr(NeutronFluxProfile, "groupwise_integrated_heating_in_layer")
     assert hasattr(NeutronFluxProfile, "integrated_heating_in_layer")
 
+def test_has_volumetric_heating():
+    assert hasattr(NeutronFluxProfile, "groupwise_neutron_heating_in_layer")
+    assert hasattr(NeutronFluxProfile, "neutron_heating_in_layer")
+    assert hasattr(NeutronFluxProfile, "groupwise_neutron_heating_at")
+    assert hasattr(NeutronFluxProfile, "neutron_heating_at")
 
 def test_has_plot():
     assert hasattr(NeutronFluxProfile, "plot")
@@ -119,6 +124,7 @@ def test_units():
     assert nfp.get_output_unit(nfp.groupwise_neutron_flux_at)=="m^-2 s^-1"
     assert nfp.get_output_unit(nfp.groupwise_neutron_flux_in_layer)=="m^-2 s^-1"
     assert nfp.get_output_unit(nfp.groupwise_neutron_heating_in_layer)=="W m^-3"
+    assert nfp.get_output_unit(nfp.groupwise_neutron_heating_at)=="W m^-3"
     
     assert nfp.get_output_unit(nfp.integrated_flux_in_layer)=="m^-1 s^-1"
     assert nfp.get_output_unit(nfp.integrated_heating_in_layer)=="W m^-2"
@@ -129,6 +135,7 @@ def test_units():
     assert nfp.get_output_unit(nfp.neutron_flux_at)=="m^-2 s^-1"
     assert nfp.get_output_unit(nfp.neutron_flux_in_layer)=="m^-2 s^-1"
     assert nfp.get_output_unit(nfp.neutron_heating_in_layer)=="W m^-3"
+    assert nfp.get_output_unit(nfp.neutron_heating_at)=="W m^-3"
 
 def test_get_sign_func():
     signs = _get_sign_of(np.array([-np.inf, -2, -1, -0.0, 0.0, 1.0, 2.0, np.inf]))

From b422dd26945ef661f8d9687b6591218753d1d8d6 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Mon, 24 Nov 2025 02:31:16 +0000
Subject: [PATCH 85/98] Does not allow higher energy bins than the incident
 neutron energy to exist without first re-writing solve_lowest_group

---
 process/neutronics.py | 11 ++++++++---
 1 file changed, 8 insertions(+), 3 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 3597f5b7fa..1f6f9c6d08 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -473,7 +473,7 @@ def _calculate_mean_energy(
         high, low = group_structure[:-1], group_structure[1:]
         weighted_mean = (high - low)/(np.log(high)- np.log(low))
         # unweighted_mean = np.mean([high, low], axis=0)
-        first_bin = np.logical_and(high>init_neutron_e, init_neutron_e>=low)
+        first_bin = np.logical_and(low<=init_neutron_e, init_neutron_e<high)
         if first_bin.sum()<1:
             raise ValueError(
                 "The energy of neutrons incident from the plasma is not "
@@ -481,8 +481,13 @@ def _calculate_mean_energy(
             )
         elif first_bin.sum()>1:
             raise ValueError(
-                "The energy of neutrons incident from the plasma is NOT captured by the group "
-                "structure!"
+                "The energy of neutrons incident from the plasma is captured "
+                "multiple times, by more than one bin in the group structure!"
+            )
+        if not first_bin[0]:
+            raise NotImplementedError(
+                "If init_neutron_e does not sit inside the lowest lethargy "
+                "group, then solve_lowest_group would have to be re-written."
             )
         weighted_mean[first_bin] = init_neutron_e
         return weighted_mean

From 919d743871bf6411d99f66d8288e81b28857d8ad Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Mon, 24 Nov 2025 02:40:15 +0000
Subject: [PATCH 86/98] Further modification to include a new attribute
 incident_neutron_group while keeping _calculate_mean_energy_and_incident_bin
 as a staticmethod.

---
 process/neutronics.py | 24 +++++++++++++++---------
 1 file changed, 15 insertions(+), 9 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 1f6f9c6d08..9cb4014835 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -369,8 +369,11 @@ def __init__(
             Number of groups in the group structure
         group_structure:
             Energy bin edges, 1D array of len = n_groups+1
-        energy:
-            The mean neutron energy of each group.
+        group_energy:
+            The average neutron energy of each group.
+        incident_neutron_group:
+            The group index (n) of the neutron group that contains the incident
+            (monoenergetic) plasma neutron's energy.
 
         coefficients:
             Coefficients that determine the flux shape (and therefore reaction
@@ -419,8 +422,10 @@ def __init__(
                 )
         self.n_groups = fw_mat.n_groups
         self.group_structure = fw_mat.group_structure
-        self.group_energy = self._calculate_mean_energy(
-            self.group_structure, self.init_neutron_energy
+        self.group_energy, self.incident_neutron_group = (
+            self._calculate_mean_energy_and_incident_bin(
+                self.group_structure, self.init_neutron_energy
+            )
         )
 
         mat_name_list = [mat.name for mat in self.materials]
@@ -439,11 +444,11 @@ def __init__(
         )
 
     @staticmethod
-    def _calculate_mean_energy(
+    def _calculate_mean_energy_and_incident_bin(
         group_structure: npt.NDArray[np.float64], init_neutron_e: float,
     ) -> npt.NDArray[np.float64]:
         """
-        Calculate the mean energy of each neutron group in Joule.
+        Calculate the average energy of each neutron group in Joule.
         When implementing this method, we can choose either a weighted mean or
         an unweighted mean. The weighted mean (where neutron flux is assumed
         constant w.r.t. neutorn lethargy within the bin) is more accurate, but
@@ -464,7 +469,7 @@ def _calculate_mean_energy(
 
         Returns
         -------
-        mean_neutron_e:
+        avg_neutron_e:
             Mean energy of neutrons. The bin containing init_neutron_e
             (likely the highest energy bin, i.e. bin[0]) is assumed to be
             dominated by the unscattered neutrons entering from the plasma,
@@ -474,6 +479,7 @@ def _calculate_mean_energy(
         weighted_mean = (high - low)/(np.log(high)- np.log(low))
         # unweighted_mean = np.mean([high, low], axis=0)
         first_bin = np.logical_and(low<=init_neutron_e, init_neutron_e<high)
+        incident_neutron_group = np.where(first_bin)[0][0]
         if first_bin.sum()<1:
             raise ValueError(
                 "The energy of neutrons incident from the plasma is not "
@@ -484,13 +490,13 @@ def _calculate_mean_energy(
                 "The energy of neutrons incident from the plasma is captured "
                 "multiple times, by more than one bin in the group structure!"
             )
-        if not first_bin[0]:
+        if incident_neutron_group!=0:
             raise NotImplementedError(
                 "If init_neutron_e does not sit inside the lowest lethargy "
                 "group, then solve_lowest_group would have to be re-written."
             )
         weighted_mean[first_bin] = init_neutron_e
-        return weighted_mean
+        return weighted_mean, incident_neutron_group
 
     def solve_lowest_group(self) -> None:
         """

From 1e625429c8861500e91b4dfd3a1a34ca8478f09d Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Mon, 24 Nov 2025 02:45:16 +0000
Subject: [PATCH 87/98] Removed conservation of neutrons condition entirely.

---
 process/neutronics.py | 23 ++++-------------------
 1 file changed, 4 insertions(+), 19 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 9cb4014835..392c1753b8 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -658,31 +658,16 @@ def _evaluate_fit():
             flux_at_boundary = self.groupwise_neutron_flux_in_layer(
                 n, self.n_layers - 1, self.extended_boundary[n]
             )
-            # conservation condition
-            influx, removal = 0.0, 0.0
-            for g in range(self.n_groups):
-                if g > n and not first_iteration:
-                    for num_layer, mat in self.materials:
-                        if not mat.downscatter_only:
-                            influx += (mat.sigma_s[g, n] + mat.sigma_in[g, n]) * self.groupwise_integrated_flux_in_layer(g, num_layer)
-                elif g <= n:
-                    for num_layer, mat in self.materials:
-                        influx += (mat.sigma_s[g, n] + mat.sigma_in[g, n]) * self.groupwise_integrated_flux_in_layer(g, num_layer)
-            for num_layer, mat in self.materials:
-                removal += mat.sigma_t[n] * self.groupwise_integrated_flux_in_layer(n, num_layer)
-            # conservation_fw = influx_fw - removal_fw - current_fw2bz
-            # conservation_bz = current_fw2bz + influx_bz - removal_bz - escaped_bz
-            total_neutron_conservation = influx - removal - self.groupwise_neutron_current_escaped(n)
-
-            conditions = [flux_at_boundary, total_neutron_conservation]
+
+            conditions = [flux_at_boundary]
 
             # enforce continuity conditions
             for num_layer in range(self.n_layers - 1):
                 x = self.layer_x[num_layer]
                 flux_continuity = self.groupwise_neutron_flux_in_layer(n, num_layer, x) - self.groupwise_neutron_flux_in_layer(n, num_layer + 1, x)
                 current_continuity = self.groupwise_neutron_current_in_layer(n, num_layer, x) - self.groupwise_neutron_current_in_layer(n, num_layer + 1, x)
-            conditions.append(flux_continuity)
-            conditions.append(current_continuity)
+                conditions.append(flux_continuity)
+                conditions.append(current_continuity)
             # TODO: there may be one more condition that I should impose: the slope at x=0 should be 0.
             return np.array(conditions)
 

From 7b355ab584483c0e089b6ae642ad24e53923b0df Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Mon, 24 Nov 2025 10:41:15 +0000
Subject: [PATCH 88/98] Fix the list of conditions so it's no longer singular

---
 process/neutronics.py | 32 +++++++++++++++++++++++---------
 1 file changed, 23 insertions(+), 9 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 392c1753b8..92ea108d54 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -654,21 +654,35 @@ def _set_coefficients(input_vector: Iterable[float]):
                 self.coefficients[num_layer, n].s[n] = input_vector[i+1]
 
         def _evaluate_fit():
-            # zero flux condition 
-            flux_at_boundary = self.groupwise_neutron_flux_in_layer(
-                n, self.n_layers - 1, self.extended_boundary[n]
+            # Enforce zero net current flowing out of the plasma.
+            no_net_current_at_zero = self.groupwise_neutron_current_in_layer(
+                n, 0, 0.0
             )
+            conditions = [no_net_current_at_zero]
 
-            conditions = [flux_at_boundary]
-
-            # enforce continuity conditions
+            # Enforce continuity conditions.
             for num_layer in range(self.n_layers - 1):
                 x = self.layer_x[num_layer]
-                flux_continuity = self.groupwise_neutron_flux_in_layer(n, num_layer, x) - self.groupwise_neutron_flux_in_layer(n, num_layer + 1, x)
-                current_continuity = self.groupwise_neutron_current_in_layer(n, num_layer, x) - self.groupwise_neutron_current_in_layer(n, num_layer + 1, x)
+                flux_continuity = (
+                    self.groupwise_neutron_flux_in_layer(n, num_layer, x)
+                    - self.groupwise_neutron_flux_in_layer(
+                        n, num_layer + 1, x
+                    )
+                )
+                current_continuity = (
+                    self.groupwise_neutron_current_in_layer(n, num_layer, x)
+                    - self.groupwise_neutron_current_in_layer(
+                        n, num_layer + 1, x
+                    )
+                )
                 conditions.append(flux_continuity)
                 conditions.append(current_continuity)
-            # TODO: there may be one more condition that I should impose: the slope at x=0 should be 0.
+
+            # Enforce zero flux at extended boundary
+            flux_at_extended_boundary = self.groupwise_neutron_flux_in_layer(
+                n, self.n_layers - 1, self.extended_boundary[n]
+            )
+            conditions.append(flux_at_extended_boundary)
             return np.array(conditions)
 
         def objective(coefficients_vector):

From b9bf9f848da3f14d4c3bca014f2daffb32c9ed1a Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Mon, 24 Nov 2025 10:53:00 +0000
Subject: [PATCH 89/98] Bug fixes prompted by ruff

---
 process/neutronics.py      | 343 ++++++++++++++++++++++---------------
 process/neutronics_data.py |   8 +-
 2 files changed, 210 insertions(+), 141 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 92ea108d54..ce16ebb87a 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -5,9 +5,9 @@
 
 import functools
 import inspect
-from itertools import pairwise
 from collections.abc import Callable, Iterable
 from dataclasses import asdict, dataclass
+from itertools import pairwise
 
 import numpy as np
 from matplotlib import pyplot as plt
@@ -15,7 +15,7 @@
 from scipy import optimize
 
 from process.exceptions import ProcessValidationError, ProcessValueError
-from process.neutronics_data import MaterialMacroInfo, DT_NEUTRON_E
+from process.neutronics_data import DT_NEUTRON_E, MaterialMacroInfo
 
 
 def summarize_values(func):
@@ -141,7 +141,7 @@ class Coefficients:
     group n=0: NeutronFluxProfile.coefficients[0, 0] = Coefficients(...)
         fw_grp0 = NeutronFluxProfile.coefficients[0, 0]
         flux = fw_grp0.c[0] * cosh(x/L[0]) + fw_grp0.s[0] * sinh(x/L[0])
-    
+
     group n=1: NeutronFluxProfile.coefficients[0, 1] = Coefficients(...)
         fw_grp1 = NeutronFluxProfile.coefficients[0, 1]
         flux = fw_grp1.c[0] * cosh(x/L[0]) + fw_grp1.c[1] * cosh(x/L[1])
@@ -157,8 +157,8 @@ def validate_length(self, exp_len: int, parent_name: str):
         for const_name, const_value in asdict(self).items():
             if len(const_value) != exp_len:
                 raise ProcessValueError(
-                    f"{parent_name}'s [{exp_len-1}]-th item is expected to "
-                    "have .{const_name} of length={exp_len}, but instead got "
+                    f"{parent_name}'s [{exp_len - 1}]-th item is expected to "
+                    f"have .{const_name} of length={exp_len}, but instead got "
                     f"{const_value}."
                 )
 
@@ -222,9 +222,16 @@ def values(self):
     def __repr__(self):
         return f"AutoPopulatingDict({self.name}):{self._dict}"
 
+
 class LayerSpecificGroupwiseConstants:
     """An object containing multiple AutoPopulatingDict"""
-    def __init__(self, populating_method: Callable[[int], None], layer_names: list[str], quantity_description: str):
+
+    def __init__(
+        self,
+        populating_method: Callable[[int], None],
+        layer_names: list[str],
+        quantity_description: str,
+    ):
         """
         Create an object that contains as many AutoPopulatingDict as there are
         items in layer_names.
@@ -259,14 +266,14 @@ def __iter__(self):
 
     def __len__(self) -> int:
         return len(self._dicts)
-        
+
     def __setitem__(self, index: int | tuple[int, int], value):
         """
         Act as if this is a 2D array, where the first-axis is the layer and the
-        second axis is the group. support slice of the thing, 
+        second axis is the group. support slice of the thing,
         """
-        if isinstance(index, tuple) and len(index)>=2:
-            if len(index)>2:
+        if isinstance(index, tuple) and len(index) >= 2:
+            if len(index) > 2:
                 raise IndexError("2D array indexed with more than 2 indices!")
             layer_index, group_index = index
             self._dicts[layer_index][group_index] = value
@@ -278,14 +285,14 @@ def __getitem__(self, index: int | tuple[int, int]):
         Act as if this is a 2D array, where the first-axis is the layer and the
         second axis is the group. Handle slices as well.
         """
-        if isinstance(index, tuple) and len(index)>=2:
-            if len(index)>2:
+        if isinstance(index, tuple) and len(index) >= 2:
+            if len(index) > 2:
                 raise IndexError("2D array indexed with more than 2 indices!")
             layer_index, group_index = index
             if isinstance(layer_index, slice):
-                return tuple(
-                    [_dict[group_index] for _dict in self._dicts[layer_index]]
-                )
+                return tuple([
+                    _dict[group_index] for _dict in self._dicts[layer_index]
+                ])
             return self._dicts[layer_index][group_index]
         return self._dicts[index]
 
@@ -310,6 +317,7 @@ def has_populated(self, n: int) -> bool:
     def __repr__(self):
         return f"A tuple of {self.n_layers} layers of {self._name}"
 
+
 UNIT_LOOKUP = {
     "integrated_flux": "m^-1 s^-1",
     "integrated_heating": "W m^-2",
@@ -319,6 +327,7 @@ def __repr__(self):
     "heating": "W m^-3",
 }
 
+
 class NeutronFluxProfile:
     """
     Calculate the neutron flux, neutron current, and neutron heating in the
@@ -394,9 +403,9 @@ def __init__(
 
         # layers
         self.layer_x = np.array(layer_x).ravel()
-        if not (np.diff(self.layer_x)>0).all():
+        if not (np.diff(self.layer_x) > 0).all():
             raise ValueError(
-                f"Model cannot have non-positive layer thicknesses."
+                "Model cannot have non-positive layer thicknesses."
             )
 
         self.layer_x.flags.writeable = False
@@ -415,7 +424,9 @@ def __init__(
         fw_mat = self.materials[0]
         for mat in self.materials[1:]:
             if not np.allclose(
-                fw_mat.group_structure, mat.group_structure, atol=0,
+                fw_mat.group_structure,
+                mat.group_structure,
+                atol=0,
             ):
                 raise ProcessValidationError(
                     "All material info must have the same group structure!"
@@ -433,8 +444,9 @@ def __init__(
             self.solve_group_n, mat_name_list, "Coefficients"
         )
         self.l2 = LayerSpecificGroupwiseConstants(
-            self.solve_group_n, mat_name_list,
-            "Characteristic diffusion length squared"
+            self.solve_group_n,
+            mat_name_list,
+            "Characteristic diffusion length squared",
         )
         self.diffusion_const = LayerSpecificGroupwiseConstants(
             self.solve_group_n, mat_name_list, "Diffusion coefficient D"
@@ -445,7 +457,8 @@ def __init__(
 
     @staticmethod
     def _calculate_mean_energy_and_incident_bin(
-        group_structure: npt.NDArray[np.float64], init_neutron_e: float,
+        group_structure: npt.NDArray[np.float64],
+        init_neutron_e: float,
     ) -> npt.NDArray[np.float64]:
         """
         Calculate the average energy of each neutron group in Joule.
@@ -473,24 +486,26 @@ def _calculate_mean_energy_and_incident_bin(
             Mean energy of neutrons. The bin containing init_neutron_e
             (likely the highest energy bin, i.e. bin[0]) is assumed to be
             dominated by the unscattered neutrons entering from the plasma,
-            therefore it is 
+            therefore it is
         """
         high, low = group_structure[:-1], group_structure[1:]
-        weighted_mean = (high - low)/(np.log(high)- np.log(low))
+        weighted_mean = (high - low) / (np.log(high) - np.log(low))
         # unweighted_mean = np.mean([high, low], axis=0)
-        first_bin = np.logical_and(low<=init_neutron_e, init_neutron_e<high)
+        first_bin = np.logical_and(
+            low <= init_neutron_e, init_neutron_e < high
+        )
         incident_neutron_group = np.where(first_bin)[0][0]
-        if first_bin.sum()<1:
+        if first_bin.sum() < 1:
             raise ValueError(
                 "The energy of neutrons incident from the plasma is not "
                 "captured by the group structure!"
             )
-        elif first_bin.sum()>1:
+        if first_bin.sum() > 1:
             raise ValueError(
                 "The energy of neutrons incident from the plasma is captured "
                 "multiple times, by more than one bin in the group structure!"
             )
-        if incident_neutron_group!=0:
+        if incident_neutron_group != 0:
             raise NotImplementedError(
                 "If init_neutron_e does not sit inside the lowest lethargy "
                 "group, then solve_lowest_group would have to be re-written."
@@ -509,18 +524,23 @@ def solve_lowest_group(self) -> None:
         if self.coefficients.has_populated(n):
             return  # skip if it has already been solved.
         for num_layer, mat in enumerate(self.materials):
-            self.diffusion_const[num_layer, n], self.l2[num_layer, n] = get_diffusion_coefficient_and_length(
-                mat.avg_atomic_mass,
-                mat.sigma_t[n],
-                mat.sigma_s[n, n],
-                mat.sigma_in[n, n],
+            self.diffusion_const[num_layer, n], self.l2[num_layer, n] = (
+                get_diffusion_coefficient_and_length(
+                    mat.avg_atomic_mass,
+                    mat.sigma_t[n],
+                    mat.sigma_s[n, n],
+                    mat.sigma_in[n, n],
+                )
             )
         self.extended_boundary[n] = self.layer_x[-1] + extrapolation_length(
             self.diffusion_const[-1, n]
         )
         if self.n_layers == 2:
-            l_fw, l_bz = np.sqrt(abs(self.l2[0, n])), np.sqrt(abs(self.l2[1, n]))
-            x_fw, = self.layer_x[:-1]
+            l_fw, l_bz = (
+                np.sqrt(abs(self.l2[0, n])),
+                np.sqrt(abs(self.l2[1, n])),
+            )
+            (x_fw,) = self.layer_x[:-1]
             d_fw, d_bz = self.diffusion_const[0, n], self.diffusion_const[1, n]
             if self.l2[0, n] > 0:
                 s_fw = np.sinh(x_fw / l_fw)
@@ -560,8 +580,12 @@ def solve_lowest_group(self) -> None:
             bz_c_factor = bz_common_factor * s_bz
             bz_s_factor = -bz_common_factor * c_bz
 
-            self.coefficients[0, n] = Coefficients([fw_c_factor], [fw_s_factor])
-            self.coefficients[1, n] = Coefficients([bz_c_factor], [bz_s_factor])
+            self.coefficients[0, n] = Coefficients(
+                [fw_c_factor], [fw_s_factor]
+            )
+            self.coefficients[1, n] = Coefficients(
+                [bz_c_factor], [bz_s_factor]
+            )
         else:
             raise NotImplementedError("Only implemented 2 groups so far.")
         return
@@ -599,17 +623,18 @@ def solve_group_n(self, n: int) -> None:
         # only systems by iterating.
         first_iteration = True
         for num_layer, mat in enumerate(self.materials):
-            self.diffusion_const[num_layer, n], self.l2[num_layer, n] = get_diffusion_coefficient_and_length(
-                mat.avg_atomic_mass,
-                mat.sigma_t[n],
-                mat.sigma_s[n, n],
-                mat.sigma_in[n, n],
+            self.diffusion_const[num_layer, n], self.l2[num_layer, n] = (
+                get_diffusion_coefficient_and_length(
+                    mat.avg_atomic_mass,
+                    mat.sigma_t[n],
+                    mat.sigma_s[n, n],
+                    mat.sigma_in[n, n],
+                )
             )
         self.extended_boundary[n] = self.layer_x[-1] + extrapolation_length(
             self.diffusion_const[-1, n]
         )
 
-
         for num_layer in range(self.n_layers):
             # Setting up aliases for shorter code
             _coefs = Coefficients([], [])
@@ -623,7 +648,7 @@ def solve_group_n(self, n: int) -> None:
                 # cosh/sinh anyways, therefore we can set the coefficient to 0.
                 scale_factor = 0.0
                 l2n, l2g = self.l2[num_layer, n], self.l2[num_layer, g]
-                if not np.isclose(l2_diff:=(l2g - l2n), 0):
+                if not np.isclose(l2_diff := (l2g - l2n), 0):
                     scale_factor = (l2n * l2g) / diffusion_const_n / l2_diff
                 _coefs.c.append(
                     sum(
@@ -646,12 +671,11 @@ def solve_group_n(self, n: int) -> None:
             _coefs.s.append(s_factor_guess)
             self.coefficients[num_layer, n] = _coefs
 
-
         def _set_coefficients(input_vector: Iterable[float]):
             for num_layer in range(self.n_layers):
                 i = num_layer * 2
                 self.coefficients[num_layer, n].c[n] = input_vector[i]
-                self.coefficients[num_layer, n].s[n] = input_vector[i+1]
+                self.coefficients[num_layer, n].s[n] = input_vector[i + 1]
 
         def _evaluate_fit():
             # Enforce zero net current flowing out of the plasma.
@@ -663,17 +687,13 @@ def _evaluate_fit():
             # Enforce continuity conditions.
             for num_layer in range(self.n_layers - 1):
                 x = self.layer_x[num_layer]
-                flux_continuity = (
-                    self.groupwise_neutron_flux_in_layer(n, num_layer, x)
-                    - self.groupwise_neutron_flux_in_layer(
-                        n, num_layer + 1, x
-                    )
-                )
-                current_continuity = (
-                    self.groupwise_neutron_current_in_layer(n, num_layer, x)
-                    - self.groupwise_neutron_current_in_layer(
-                        n, num_layer + 1, x
-                    )
+                flux_continuity = self.groupwise_neutron_flux_in_layer(
+                    n, num_layer, x
+                ) - self.groupwise_neutron_flux_in_layer(n, num_layer + 1, x)
+                current_continuity = self.groupwise_neutron_current_in_layer(
+                    n, num_layer, x
+                ) - self.groupwise_neutron_current_in_layer(
+                    n, num_layer + 1, x
                 )
                 conditions.append(flux_continuity)
                 conditions.append(current_continuity)
@@ -689,7 +709,10 @@ def objective(coefficients_vector):
             _set_coefficients(coefficients_vector)
             return _evaluate_fit()
 
-        x0 = np.flatten([[layer_coefs[n].c[n], layer_coefs[n].s[n]] for layer_coefs in self.coefficients])
+        x0 = np.flatten([
+            [layer_coefs[n].c[n], layer_coefs[n].s[n]]
+            for layer_coefs in self.coefficients
+        ])
         results = optimize.root(objective, x0=x0)
         _set_coefficients(results.res)
         return None
@@ -697,16 +720,17 @@ def objective(coefficients_vector):
     def _check_if_in_layer(
         self, x: npt.NDArray[np.float64], num_layer: int
     ) -> npt.NDArray[bool]:
-        if num_layer==(self.n_layers-1):
+        abs_x = abs(x)
+        if num_layer == (self.n_layers - 1):
             return np.logical_and(
-                self.interface_x[num_layer]<=abs(x),
-                abs(x)<=self.interface_x[num_layer+1]
+                self.interface_x[num_layer] <= abs_x,
+                abs_x <= self.interface_x[num_layer + 1],
             )
-        elif num_layer==self.n_layers:
-            return abs(x)>self.interface_x[-1]
+        if num_layer == self.n_layers:
+            return abs_x > self.interface_x[-1]
         return np.logical_and(
-            self.interface_x[num_layer]<=abs(x),
-            abs(x)<=self.interface_x[num_layer+1]
+            self.interface_x[num_layer] <= abs_x,
+            abs_x <= self.interface_x[num_layer + 1],
         )
 
     @summarize_values
@@ -733,11 +757,12 @@ def groupwise_neutron_flux_in_layer(
         flux:
             Neutron flux at x meter from the first wall.
         """
-        if num_layer==self.n_layers:
+        if num_layer == self.n_layers:
             return self.groupwise_neutron_flux_in_layer(
-                n, self.n_layers-1, np.sign(x) * self.layer_x[-1]
+                n, self.n_layers - 1, np.sign(x) * self.layer_x[-1]
             )
         trig_funcs = []
+        abs_x = abs(x)
         for g in range(n + 1):
             if self.l2[num_layer, g] > 0:
                 c, s = np.cosh, np.sinh
@@ -745,11 +770,14 @@ def groupwise_neutron_flux_in_layer(
             else:
                 c, s = np.cos, np.sin
                 l = np.sqrt(-self.l2[num_layer, g])
-            trig_funcs.append(self.coefficients[num_layer, n].c[g] * c(abs(x) / l))
-            trig_funcs.append(self.coefficients[num_layer, n].s[g] * s(abs(x) / l))
+            trig_funcs.append(
+                self.coefficients[num_layer, n].c[g] * c(abs_x / l)
+            )
+            trig_funcs.append(
+                self.coefficients[num_layer, n].s[g] * s(abs_x / l)
+            )
         return np.sum(trig_funcs, axis=0)
 
-
     @summarize_values
     def groupwise_neutron_flux_at(
         self, n: int, x: float | npt.NDArray
@@ -774,7 +802,6 @@ def groupwise_neutron_flux_at(
         x = np.asarray(x)
 
         out_flux = np.zeros_like(x)
-        abs_x = abs(x)
         for num_layer in range(self.n_layers + 1):
             in_layer = self._check_if_in_layer(x, num_layer)
             if in_layer.any():
@@ -805,18 +832,17 @@ def groupwise_neutron_heating_in_layer(
         num_layer:
             The index of the layer that we want to get the neutron heating for.
         x:
-            The depth where we want the neutron heating [m]. 
-    
+            The depth where we want the neutron heating [m].
+
         Returns
         -------
         :
             The neutron heating in that specific layer at position x, due to
             group n's neutrons.
         """
-        return (
-            self.groupwise_linear_heating_density_in_layer(n, num_layer)
-            * self.groupwise_neutron_flux_in_layer(n, num_layer, x)
-        )
+        return self.groupwise_linear_heating_density_in_layer(
+            n, num_layer
+        ) * self.groupwise_neutron_flux_in_layer(n, num_layer, x)
 
     @summarize_values
     def groupwise_neutron_heating_at(
@@ -843,10 +869,9 @@ def groupwise_neutron_heating_at(
             Volumetric neutron heating due to group n's neutrons at x.
         """
         if np.isscalar(x):
-            return groupwise_neutron_heating_at(n, num_layer, [x])[0]
+            return self.groupwise_neutron_heating_at(n, [x])[0]
 
         out_heat = np.zeros_like(x)
-        abs_x = abs(x)
         for num_layer in range(self.n_layers + 1):
             in_layer = self._check_if_in_layer(x, num_layer)
             if in_layer.any():
@@ -872,11 +897,12 @@ def groupwise_neutron_current_in_layer(
         x:
             The depth where we want the neutron current [m].
         """
-        if num_layer==self.n_layers:
+        if num_layer == self.n_layers:
             return self.groupwise_neutron_current_in_layer(
-                n, self.n_layers-1, np.sign(x) * self.layer_x[-1]
+                n, self.n_layers - 1, np.sign(x) * self.layer_x[-1]
             )
         differentials = []
+        abs_x = abs(x)
         for g in range(n + 1):
             l2g = self.l2[num_layer, g]
             if l2g > 0:
@@ -884,27 +910,31 @@ def groupwise_neutron_current_in_layer(
                 differentials.append(
                     self.coefficients[num_layer, n].c[g]
                     / l
-                    * np.sinh(abs(x) / l)
+                    * np.sinh(abs_x / l)
                 )
                 differentials.append(
                     self.coefficients[num_layer, n].s[g]
                     / l
-                    * np.cosh(abs(x) / l)
+                    * np.cosh(abs_x / l)
                 )
             else:
                 l = np.sqrt(-l2g)
                 differentials.append(
                     -self.coefficients[num_layer, n].c[g]
                     / l
-                    * np.sin(abs(x) / l)
+                    * np.sin(abs_x / l)
                 )
                 differentials.append(
                     self.coefficients[num_layer, n].s[g]
                     / l
-                    * np.cos(abs(x) / l)
+                    * np.cos(abs_x / l)
                 )
-    
-        return -self.diffusion_const[num_layer, n] * np.sum(differentials, axis=0) * _get_sign_of(x)
+
+        return (
+            -self.diffusion_const[num_layer, n]
+            * np.sum(differentials, axis=0)
+            * _get_sign_of(x)
+        )
 
     @summarize_values
     def groupwise_neutron_current_at(
@@ -930,7 +960,6 @@ def groupwise_neutron_current_at(
         x = np.asarray(x)
 
         current = np.zeros_like(x)
-        abs_x = abs(x)
         for num_layer in range(self.n_layers + 1):
             in_layer = self._check_if_in_layer(x, num_layer)
             if in_layer.any():
@@ -941,7 +970,7 @@ def groupwise_neutron_current_at(
 
     @summarize_values
     def groupwise_neutron_current_through_interface(
-        self, n: int, n_interface: int, *, default_to_inner_layer : bool=True
+        self, n: int, n_interface: int, *, default_to_inner_layer: bool = True
     ) -> float:
         """
         Net current from left to right on the positive side of the model, at
@@ -967,15 +996,16 @@ def groupwise_neutron_current_through_interface(
         x = self.interface_x[n_interface]
 
         if default_to_inner_layer:
-            if n_interface==0:
+            if n_interface == 0:
                 return self.groupwise_neutron_current_in_layer(n, 0, x)
-            return self.groupwise_neutron_current_in_layer(n, n_interface-1, x)
-        else:
-            if n_interface==self.n_layers:
-                return self.groupwise_neutron_current_in_layer(
-                    n, self.n_layers-1, x
-                )
-            return self.groupwise_neutron_current_in_layer(n, n_interface, x)
+            return self.groupwise_neutron_current_in_layer(
+                n, n_interface - 1, x
+            )
+        if n_interface == self.n_layers:
+            return self.groupwise_neutron_current_in_layer(
+                n, self.n_layers - 1, x
+            )
+        return self.groupwise_neutron_current_in_layer(n, n_interface, x)
 
     @summarize_values
     def groupwise_neutron_current_escaped(self, n: int) -> float:
@@ -1014,12 +1044,12 @@ def groupwise_integrated_flux_in_layer(
         num_layer:
             The index of the layer that we want to get the integrated flux for.
         """
-        if num_layer==self.n_layers:
+        if num_layer == self.n_layers:
             return np.nan
         integrals = []
         # set integration limits
-        x_start = self.layer_x[num_layer-1]
-        if num_layer==0:
+        x_start = self.layer_x[num_layer - 1]
+        if num_layer == 0:
             x_start = 0.0
         x_end = self.layer_x[num_layer]
 
@@ -1028,28 +1058,34 @@ def groupwise_integrated_flux_in_layer(
             if l2g > 0:
                 l = np.sqrt(l2g)
                 integrals.append(
-                    l * self.coefficients[num_layer, n].c[g]
+                    l
+                    * self.coefficients[num_layer, n].c[g]
                     * (np.sinh(x_end / l) - np.sinh(x_start / l))
                 )
                 integrals.append(
-                    l * self.coefficients[num_layer, n].s[g]
+                    l
+                    * self.coefficients[num_layer, n].s[g]
                     * (np.cosh(x_end / l) - np.cosh(x_start / l))
                 )
             else:
                 l = np.sqrt(-l2g)
                 integrals.append(
-                    l * self.coefficients[num_layer, n].c[g]
+                    l
+                    * self.coefficients[num_layer, n].c[g]
                     * (np.sin(x_end / l) - np.sin(x_start / l))
                 )
                 integrals.append(
-                    -l * self.coefficients[num_layer, n].s[g]
+                    -l
+                    * self.coefficients[num_layer, n].s[g]
                     * (np.cos(x_end / l) - np.cos(x_start / l))
                 )
         return np.sum(integrals, axis=0)
 
     @summarize_values
     def groupwise_integrated_heating_in_layer(
-        self, n: int, num_layer: int,
+        self,
+        n: int,
+        num_layer: int,
     ) -> float:
         """
         The total amount of heat produced (per unit area) due to neutron
@@ -1057,17 +1093,18 @@ def groupwise_integrated_heating_in_layer(
         yield the same result as integrating the curve neutron_heating_in_layer
         from self.interface_x[n] to self.interface_x[n+1].
         """
-        if num_layer==self.n_layers:
+        if num_layer == self.n_layers:
             return 0.0
-        return (
-            self.groupwise_linear_heating_density_in_layer(n, num_layer)
-            * self.groupwise_integrated_flux_in_layer(n, num_layer)
-        )
+        return self.groupwise_linear_heating_density_in_layer(
+            n, num_layer
+        ) * self.groupwise_integrated_flux_in_layer(n, num_layer)
 
     # Do NOT add a summarize_values decorator, as you can't add cross-sections
     # from different groups together without first multiplying by flux to get reaction rate.
     def groupwise_linear_heating_density_in_layer(
-        self, n: int, num_layer: int,
+        self,
+        n: int,
+        num_layer: int,
     ) -> float:
         """
         unit: [J m^-1]
@@ -1077,12 +1114,12 @@ def groupwise_linear_heating_density_in_layer(
         its energy in the n,2n reaction, but we hope this is a small enough
         error that we can overlook it.
         """
-        if num_layer==self.n_layers:
+        if num_layer == self.n_layers:
             return 0.0
         mat = self.materials[num_layer]
-        non_scatter_xs = mat.sigma_t[n] - mat.sigma_s[n,:].sum()
+        non_scatter_xs = mat.sigma_t[n] - mat.sigma_s[n, :].sum()
         lost_energy = (
-            (self.group_energy[n] - self.group_energy) * mat.sigma_s[n,:]
+            (self.group_energy[n] - self.group_energy) * mat.sigma_s[n, :]
         ).sum()
         return self.group_energy[n] * non_scatter_xs + lost_energy
 
@@ -1104,6 +1141,7 @@ def get_output_unit(cls, method: Callable) -> str | None:
         for quantity, unit in UNIT_LOOKUP.items():
             if quantity in method.__name__:
                 return unit
+        return None
 
     def plot(
         self,
@@ -1112,7 +1150,7 @@ def plot(
         *,
         plot_groups: bool = True,
         symmetric: bool = True,
-        extend_plot_beyond_boundary: bool=True,
+        extend_plot_beyond_boundary: bool = True,
         n_points: int = 100,
     ):
         """
@@ -1144,47 +1182,69 @@ def plot(
             groupwise_function = getattr(self, f"groupwise_{method_name}")
         x_ranges = _generate_x_range(
             self.interface_x.copy(),
-            max(self.extended_boundary.values()) if extend_plot_beyond_boundary else None,
+            max(self.extended_boundary.values())
+            if extend_plot_beyond_boundary
+            else None,
             min_total_num_points=n_points,
-            symmetric=symmetric
+            symmetric=symmetric,
         )
-        for num_layer in range(self.n_layers + bool(extend_plot_beyond_boundary)):
+        for num_layer in range(
+            self.n_layers + bool(extend_plot_beyond_boundary)
+        ):
             if symmetric:
                 neg_x = next(x_ranges)
                 ax.plot(neg_x, total_function(num_layer, neg_x), color="black")
             pos_x = next(x_ranges)
-            plot_dict = {"label": "total"} if num_layer==0 else {}
+            plot_dict = {"label": "total"} if num_layer == 0 else {}
             ax.plot(
-                pos_x, total_function(num_layer, pos_x),
-                color="black", **plot_dict,
+                pos_x,
+                total_function(num_layer, pos_x),
+                color="black",
+                **plot_dict,
             )
             if plot_groups:
                 for n in range(self.n_groups):
                     if symmetric:
                         ax.plot(
-                            neg_x, groupwise_function(n, num_layer, neg_x),
-                            color=f"C{n}"
+                            neg_x,
+                            groupwise_function(n, num_layer, neg_x),
+                            color=f"C{n}",
                         )
-                    plot_dict = {"label": f"group {n}"} if num_layer==0 else {}
+                    plot_dict = (
+                        {"label": f"group {n}"} if num_layer == 0 else {}
+                    )
                     ax.plot(
-                        pos_x, groupwise_function(n, num_layer, pos_x),
-                        color=f"C{n}", **plot_dict,
+                        pos_x,
+                        groupwise_function(n, num_layer, pos_x),
+                        color=f"C{n}",
+                        **plot_dict,
                     )
         ax.legend()
         ax.set_title(f"Neutron {quantity} profile")
         ax.set_xlabel("Distance from the plasma-fw interface [m]")
         ax.set_ylabel(ylabel)
-        
+
         # plotting the interfaces for ease of comprehension.
         ylims = ax.get_ylim()
-        for (xmin, xmax), mat in zip(pairwise(self.interface_x), self.materials):
+        for (xmin, xmax), mat in zip(
+            pairwise(self.interface_x), self.materials, strict=False
+        ):
             _plot_vertical_dotted_line(ax, xmin, ylims, symmetric=symmetric)
-            ax.text(np.mean([xmin, xmax]), 0, mat.name, ha="center", va="center")
+            ax.text(
+                np.mean([xmin, xmax]), 0, mat.name, ha="center", va="center"
+            )
             if symmetric:
-                ax.text(-np.mean([xmin, xmax]), 0, mat.name, ha="center", va="center")
+                ax.text(
+                    -np.mean([xmin, xmax]),
+                    0,
+                    mat.name,
+                    ha="center",
+                    va="center",
+                )
         _plot_vertical_dotted_line(ax, xmax, ylims, symmetric=symmetric)
         return ax
 
+
 def _get_sign_of(x_values):
     """
     Get sign of any real number, but also forces 0.0 to be +ve and -0.0 to be -ve.
@@ -1197,18 +1257,20 @@ def _get_sign_of(x_values):
     negatives = np.signbit(x_values)
     return np.array(negatives, dtype=float) * -2 + 1
 
-def _plot_vertical_dotted_line(ax, x, ylims, *, symmetric: bool=True):
+
+def _plot_vertical_dotted_line(ax, x, ylims, *, symmetric: bool = True):
     if symmetric:
         ax.plot([-x, -x], ylims, color="black", ls="--")
     ax.plot([x, x], ylims, color="black", ls="--")
-    return None
+    return
+
 
 def _generate_x_range(
     interface_x: npt.NDArray[np.float64],
-    extension_to_be_plotted: float | None=None,
+    extension_to_be_plotted: float | None = None,
     *,
-    min_total_num_points: int=100,
-    symmetric: bool=True,
+    min_total_num_points: int = 100,
+    symmetric: bool = True,
 ):
     """Helper generator for finding the range of x-values to be plotted.
 
@@ -1241,20 +1303,25 @@ def _generate_x_range(
     full_x_range = np.linspace(
         interface_x.min(), interface_x.max(), min_total_num_points
     )
-    for num_layer, (xmin, xmax) in enumerate(pairwise(interface_x)):
-        num_points = np.logical_and(xmin<full_x_range, full_x_range<xmax).sum() + 2
+    for xmin, xmax in pairwise(interface_x):
+        num_points = (
+            np.logical_and(xmin < full_x_range, full_x_range < xmax).sum() + 2
+        )
         layer_x_range = np.linspace(xmin, xmax, num_points)
         if symmetric:
             yield -layer_x_range[::-1]
         yield layer_x_range.copy()
 
     if extension_to_be_plotted:
-        if (extension_to_be_plotted<=interface_x).any():
+        if (extension_to_be_plotted <= interface_x).any():
             raise ValueError(
                 "The extension_to_be_plotted must extend beyond all of the "
                 "layers' x-coordinates!"
             )
-        layer_x_range = np.array([np.nextafter(xmax, np.inf), extension_to_be_plotted])
+        layer_x_range = np.array([
+            np.nextafter(xmax, np.inf),
+            extension_to_be_plotted,
+        ])
         if symmetric:
             yield -layer_x_range[::-1]
         yield layer_x_range
diff --git a/process/neutronics_data.py b/process/neutronics_data.py
index 63ea13522d..4ffbe5a799 100644
--- a/process/neutronics_data.py
+++ b/process/neutronics_data.py
@@ -13,8 +13,8 @@
 N_A = Avogadro
 N2N_Q_VALUE = ...
 _ATOMIC_MASS = {}
-EV_TO_J = 1.602E-19
-DT_NEUTRON_E = 14.06 * EV_TO_J
+EV_TO_J = 1.602e-19
+DT_NEUTRON_E = 14.06e6 * EV_TO_J
 
 
 def extract_atomic_mass(isotope: str) -> float:
@@ -493,7 +493,9 @@ def __post_init__(self):
 
         if (self.group_structure <= 0).any():
             warnings.warn("Zero energy (inf. lethargy) not allowed.")
-            self.group_structure = np.clip(self.group_structure, 1e-9 * EV_TO_J, np.inf)
+            self.group_structure = np.clip(
+                self.group_structure, 1e-9 * EV_TO_J, np.inf
+            )
         if (np.diff(self.group_structure) >= 0).any():
             raise ValueError(
                 "The group structure must be defined descendingly, from the "

From 82d259f7c8405c6f4184318d478b83dd05ef50a9 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Mon, 24 Nov 2025 10:55:29 +0000
Subject: [PATCH 90/98] Ruff fixes for tests too

---
 tests/regression/test_neutronics.py |  54 +++++++++-----
 tests/unit/test_neutronics.py       | 105 ++++++++++++++++++----------
 2 files changed, 104 insertions(+), 55 deletions(-)

diff --git a/tests/regression/test_neutronics.py b/tests/regression/test_neutronics.py
index fb732989dc..435edddab6 100644
--- a/tests/regression/test_neutronics.py
+++ b/tests/regression/test_neutronics.py
@@ -1,19 +1,19 @@
 import numpy as np
+from scipy.integrate import trapezoid
 
 from process.neutronics import NeutronFluxProfile
-from process.neutronics_data import MaterialMacroInfo, DT_NEUTRON_E, EV_TO_J
-from scipy.integrate import trapezoid
-from matplotlib import pyplot as plt
+from process.neutronics_data import DT_NEUTRON_E, EV_TO_J, MaterialMacroInfo
+
+MAX_E = DT_NEUTRON_E * 1.01
+MIN_E = 1e-9 * EV_TO_J
 
-max_E = DT_NEUTRON_E * 1.01
-min_E = 1E-9 * EV_TO_J
 
 def test_one_group():
     """
     Regression test against Desmos snapshot:
     https://www.desmos.com/calculator/18xojespuo
     """
-    dummy = [max_E, min_E]  # dummy group structure
+    dummy = [MAX_E, MIN_E]  # dummy group structure
     # translate from mean-free-path lengths (mfp) to macroscopic cross-sections
     mfp_fw_s = 118 * 0.01  # [m]
     mfp_fw_t = 16.65 * 0.01  # [m]
@@ -49,10 +49,11 @@ def test_one_group():
     assert np.isclose(neutron_profile.neutron_flux_in_layer(1, x_fw), 48.72444)
     assert np.isclose(neutron_profile.neutron_flux_at(x_fw), 48.72444)
 
-    assert np.isclose(neutron_profile.neutron_current_through_interface(1), 22.3980214162)
+    assert np.isclose(
+        neutron_profile.neutron_current_through_interface(1), 22.3980214162
+    )
     assert np.isclose(neutron_profile.neutron_current_escaped(), 1.22047369356)
 
-
     fw_removal = sigma_fw_t - sigma_fw_s - fw_material.sigma_in[0, 0]
     bz_removal = sigma_bz_t - sigma_bz_s - bz_material.sigma_in[0, 0]
     assert np.isclose(
@@ -64,19 +65,25 @@ def test_one_group():
 
     x_fw = np.linspace(*neutron_profile.interface_x[0:2], 100000)
     manually_integrated_heating_fw = trapezoid(
-        neutron_profile.neutron_heating_in_layer(0, x_fw), x_fw,
+        neutron_profile.neutron_heating_in_layer(0, x_fw),
+        x_fw,
     )
     x_bz = np.linspace(*neutron_profile.interface_x[1:3], 100000)
     manually_integrated_heating_bz = trapezoid(
-        neutron_profile.neutron_heating_in_layer(1, x_bz), x_bz,
+        neutron_profile.neutron_heating_in_layer(1, x_bz),
+        x_bz,
     )
     assert np.isclose(
         neutron_profile.integrated_heating_in_layer(0),
-        manually_integrated_heating_fw, atol=0, rtol=1E-8,
+        manually_integrated_heating_fw,
+        atol=0,
+        rtol=1e-8,
     ), "Correctly integrated heating in FW"
     assert np.isclose(
         neutron_profile.integrated_heating_in_layer(1),
-        manually_integrated_heating_bz, atol=0, rtol=1E-8,
+        manually_integrated_heating_bz,
+        atol=0,
+        rtol=1e-8,
     ), "Correctly integrated heating in BZ"
 
 
@@ -86,7 +93,7 @@ def test_one_group_with_fission():
     https://www.desmos.com/calculator/cd830add9c
     Expecting a cosine-shape (dome shape!) of neutron flux profile.
     """
-    dummy = [max_E, min_E]
+    dummy = [MAX_E, MIN_E]
     mfp_fw_s = 118 * 0.01  # [m]
     mfp_fw_t = 16.65 * 0.01  # [m]
     sigma_fw_t = 1 / mfp_fw_t  # [1/m]
@@ -111,7 +118,9 @@ def test_one_group_with_fission():
     x_fw, x_bz = 5.72 * 0.01, 85 * 0.01
     incoming_flux = 41
     neutron_profile = NeutronFluxProfile(
-        incoming_flux, [x_fw, x_bz], [fw_material, bz_material],
+        incoming_flux,
+        [x_fw, x_bz],
+        [fw_material, bz_material],
     )
     assert np.isclose(neutron_profile.l2[1, 0], -((58.2869567709 / 100) ** 2))
     assert np.isclose(
@@ -131,7 +140,8 @@ def test_one_group_with_fission():
         neutron_profile.neutron_flux_in_layer(1, x_fw),
     ), "Flux continuity assurance"
     assert np.isclose(
-        neutron_profile.neutron_current_through_interface(1), -7.6275782637960745
+        neutron_profile.neutron_current_through_interface(1),
+        -7.6275782637960745,
     ), "Negative current because BZ (breeding) is backflowing into the FW"
     assert np.isclose(
         neutron_profile.neutron_current_escaped(), 30.665951670177186
@@ -147,19 +157,25 @@ def test_one_group_with_fission():
     ), "Conservation of neutrons"
     x_fw = np.linspace(*neutron_profile.interface_x[0:2], 100000)
     manually_integrated_heating_fw = trapezoid(
-        neutron_profile.neutron_heating_in_layer(0, x_fw), x_fw,
+        neutron_profile.neutron_heating_in_layer(0, x_fw),
+        x_fw,
     )
     x_bz = np.linspace(*neutron_profile.interface_x[1:3], 100000)
     manually_integrated_heating_bz = trapezoid(
-        neutron_profile.neutron_heating_in_layer(1, x_bz), x_bz,
+        neutron_profile.neutron_heating_in_layer(1, x_bz),
+        x_bz,
     )
     assert np.isclose(
         neutron_profile.integrated_heating_in_layer(0),
-        manually_integrated_heating_fw, atol=0, rtol=1E-8,
+        manually_integrated_heating_fw,
+        atol=0,
+        rtol=1e-8,
     ), "Correctly integrated heating in FW"
     assert np.isclose(
         neutron_profile.integrated_heating_in_layer(1),
-        manually_integrated_heating_bz, atol=0, rtol=1E-8,
+        manually_integrated_heating_bz,
+        atol=0,
+        rtol=1e-8,
     ), "Correctly integrated heating in BZ"
 
 
diff --git a/tests/unit/test_neutronics.py b/tests/unit/test_neutronics.py
index babc740276..68144094d4 100644
--- a/tests/unit/test_neutronics.py
+++ b/tests/unit/test_neutronics.py
@@ -1,12 +1,17 @@
+import numpy as np
 import pytest
 
-import numpy as np
 from process.exceptions import ProcessValidationError
-from process.neutronics import NeutronFluxProfile, LayerSpecificGroupwiseConstants, AutoPopulatingDict, _get_sign_of
-from process.neutronics_data import MaterialMacroInfo, DT_NEUTRON_E, EV_TO_J
+from process.neutronics import (
+    AutoPopulatingDict,
+    LayerSpecificGroupwiseConstants,
+    NeutronFluxProfile,
+    _get_sign_of,
+)
+from process.neutronics_data import DT_NEUTRON_E, EV_TO_J, MaterialMacroInfo
 
-max_E = DT_NEUTRON_E * 1.01
-min_E = 1E-9 * EV_TO_J
+MAX_E = DT_NEUTRON_E * 1.01
+MIN_E = 1e-9 * EV_TO_J
 
 
 def test_group_structure_0_energy():
@@ -58,6 +63,7 @@ def test_warn_up_elastic_scatter():
             [[0.5, 0.5], [1.0, 1.0]],
         )
 
+
 def test_throw_index_error():
     layer_specific_const = LayerSpecificGroupwiseConstants(
         lambda x: x, ["", ""], ["Dummy constants"]
@@ -67,6 +73,7 @@ def test_throw_index_error():
     with pytest.raises(IndexError):
         layer_specific_const[0, 0, 0] = 1
 
+
 def test_iter_and_len():
     layer_specific_const = LayerSpecificGroupwiseConstants(
         lambda x: x, ["", ""], ["Dummy constants"]
@@ -76,6 +83,7 @@ def test_iter_and_len():
     assert len(as_list) == 2
     assert isinstance(as_list[0], AutoPopulatingDict)
 
+
 def test_has_local_fluxes():
     """Test that the groupwise decorator has worked on the local fluxes methods."""
     assert hasattr(NeutronFluxProfile, "neutron_flux_at")
@@ -103,53 +111,78 @@ def test_has_reaction_rates():
     assert hasattr(NeutronFluxProfile, "groupwise_integrated_heating_in_layer")
     assert hasattr(NeutronFluxProfile, "integrated_heating_in_layer")
 
+
 def test_has_volumetric_heating():
     assert hasattr(NeutronFluxProfile, "groupwise_neutron_heating_in_layer")
     assert hasattr(NeutronFluxProfile, "neutron_heating_in_layer")
     assert hasattr(NeutronFluxProfile, "groupwise_neutron_heating_at")
     assert hasattr(NeutronFluxProfile, "neutron_heating_at")
 
+
 def test_has_plot():
     assert hasattr(NeutronFluxProfile, "plot")
 
+
 def test_units():
     nfp = NeutronFluxProfile
-    assert nfp.get_output_unit(nfp.groupwise_integrated_flux_in_layer)=="m^-1 s^-1"
-    assert nfp.get_output_unit(nfp.groupwise_integrated_heating_in_layer)=="W m^-2"
-    assert nfp.get_output_unit(nfp.groupwise_linear_heating_density_in_layer)=="J m^-1"
-    assert nfp.get_output_unit(nfp.groupwise_neutron_current_at)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.groupwise_neutron_current_escaped)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.groupwise_neutron_current_in_layer)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.groupwise_neutron_current_through_interface)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.groupwise_neutron_flux_at)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.groupwise_neutron_flux_in_layer)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.groupwise_neutron_heating_in_layer)=="W m^-3"
-    assert nfp.get_output_unit(nfp.groupwise_neutron_heating_at)=="W m^-3"
-    
-    assert nfp.get_output_unit(nfp.integrated_flux_in_layer)=="m^-1 s^-1"
-    assert nfp.get_output_unit(nfp.integrated_heating_in_layer)=="W m^-2"
-    assert nfp.get_output_unit(nfp.neutron_current_at)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.neutron_current_escaped)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.neutron_current_in_layer)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.neutron_current_through_interface)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.neutron_flux_at)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.neutron_flux_in_layer)=="m^-2 s^-1"
-    assert nfp.get_output_unit(nfp.neutron_heating_in_layer)=="W m^-3"
-    assert nfp.get_output_unit(nfp.neutron_heating_at)=="W m^-3"
+    assert (
+        nfp.get_output_unit(nfp.groupwise_integrated_flux_in_layer)
+        == "m^-1 s^-1"
+    )
+    assert (
+        nfp.get_output_unit(nfp.groupwise_integrated_heating_in_layer)
+        == "W m^-2"
+    )
+    assert (
+        nfp.get_output_unit(nfp.groupwise_linear_heating_density_in_layer)
+        == "J m^-1"
+    )
+    assert nfp.get_output_unit(nfp.groupwise_neutron_current_at) == "m^-2 s^-1"
+    assert (
+        nfp.get_output_unit(nfp.groupwise_neutron_current_escaped)
+        == "m^-2 s^-1"
+    )
+    assert (
+        nfp.get_output_unit(nfp.groupwise_neutron_current_in_layer)
+        == "m^-2 s^-1"
+    )
+    assert (
+        nfp.get_output_unit(nfp.groupwise_neutron_current_through_interface)
+        == "m^-2 s^-1"
+    )
+    assert nfp.get_output_unit(nfp.groupwise_neutron_flux_at) == "m^-2 s^-1"
+    assert (
+        nfp.get_output_unit(nfp.groupwise_neutron_flux_in_layer) == "m^-2 s^-1"
+    )
+    assert (
+        nfp.get_output_unit(nfp.groupwise_neutron_heating_in_layer) == "W m^-3"
+    )
+    assert nfp.get_output_unit(nfp.groupwise_neutron_heating_at) == "W m^-3"
+
+    assert nfp.get_output_unit(nfp.integrated_flux_in_layer) == "m^-1 s^-1"
+    assert nfp.get_output_unit(nfp.integrated_heating_in_layer) == "W m^-2"
+    assert nfp.get_output_unit(nfp.neutron_current_at) == "m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.neutron_current_escaped) == "m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.neutron_current_in_layer) == "m^-2 s^-1"
+    assert (
+        nfp.get_output_unit(nfp.neutron_current_through_interface)
+        == "m^-2 s^-1"
+    )
+    assert nfp.get_output_unit(nfp.neutron_flux_at) == "m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.neutron_flux_in_layer) == "m^-2 s^-1"
+    assert nfp.get_output_unit(nfp.neutron_heating_in_layer) == "W m^-3"
+    assert nfp.get_output_unit(nfp.neutron_heating_at) == "W m^-3"
+
 
 def test_get_sign_func():
-    signs = _get_sign_of(np.array([-np.inf, -2, -1, -0.0, 0.0, 1.0, 2.0, np.inf]))
+    signs = _get_sign_of(
+        np.array([-np.inf, -2, -1, -0.0, 0.0, 1.0, 2.0, np.inf])
+    )
     np.testing.assert_equal(signs, [-1, -1, -1, -1, 1, 1, 1, 1])
 
+
 def test_three_group():
-    # 1. No negative flux
-    dummy = np.geomspace(max_E, min_E, 4)
-    # fw_mat = MaterialMacroInfo()
-    bz_mat = MaterialMacroInfo
-    # 2. same L_1 and L_3 shoudl yield coefficients[0][2].c[0] and
-    # coefficients[0][2].s[0] = 0.0
-    # self.l2[0][n] == self.l2[1][n] case.
-    #
+    """Can use degenerate cross-sections values between groups?"""
 
 
 def test_two_group():

From 115b29fb67e7f183a2b7edd0e7f4ff90309d7f1d Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Tue, 25 Nov 2025 01:14:34 +0000
Subject: [PATCH 91/98] Fixed plotting zorder

---
 process/neutronics.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index ce16ebb87a..a28dd9031f 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -1260,8 +1260,8 @@ def _get_sign_of(x_values):
 
 def _plot_vertical_dotted_line(ax, x, ylims, *, symmetric: bool = True):
     if symmetric:
-        ax.plot([-x, -x], ylims, color="black", ls="--")
-    ax.plot([x, x], ylims, color="black", ls="--")
+        ax.plot([-x, -x], ylims, color="black", ls="--", zorder=-1)
+    ax.plot([x, x], ylims, color="black", ls="--", zorder=-1)
     return
 
 

From 16e879997e5a25dc3477e0056137370f7da41a07 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Tue, 25 Nov 2025 01:17:25 +0000
Subject: [PATCH 92/98] Prepared for the case that allows for
 contains_upscatter=True, where each NeutronFluxProfile.coefficient[:, n] will
 contain self.n_groups coefficients rather than n coefficients.

---
 process/neutronics.py | 41 +++++++++++++++++++++++++++++++----------
 1 file changed, 31 insertions(+), 10 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index a28dd9031f..f14a94e1c9 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -396,6 +396,12 @@ def __init__(
         extended_boundary:
             Extended boundary for each group. These values should be larger
             than layer_x[-1].
+        num_iteration:
+            How many times the method has been called to solve all of the
+            neutron groups collectively.
+        downscatter_only:
+            A boolean to denote if all materials here only allow for
+            downscattering.
         """
         # flux incident on the first wall at the highest energy.
         self.flux = flux
@@ -454,6 +460,10 @@ def __init__(
         self.extended_boundary = AutoPopulatingDict(
             self.solve_group_n, "extended_boundary"
         )
+        self.num_iteration = 0
+        self.contains_upscatter = any(
+            not mat.downscatter_only for mat in self.materials
+        )
 
     @staticmethod
     def _calculate_mean_energy_and_incident_bin(
@@ -613,15 +623,16 @@ def solve_group_n(self, n: int) -> None:
         for k in range(n):
             if not self.coefficients.has_populated(k):
                 self.solve_group_n(k)
-        if not all(mat.downscatter_only for mat in self.materials):
+        if self.contains_upscatter:
             raise NotImplementedError(
-                "Will implement solve_group_n in a loop later..."
+                "Will implement solve_group_n in a loop later.\n"
+                "Current implementation will trigger a ProcessValueError via "
+                "coefficients[:, :].validate_length if allowed to continue."
             )
         if self.coefficients.has_populated(n):
             return None  # skip if it has already been solved.
         # Parameter to be changed later, to allow solving non-down-scatter
         # only systems by iterating.
-        first_iteration = True
         for num_layer, mat in enumerate(self.materials):
             self.diffusion_const[num_layer, n], self.l2[num_layer, n] = (
                 get_diffusion_coefficient_and_length(
@@ -635,40 +646,49 @@ def solve_group_n(self, n: int) -> None:
             self.diffusion_const[-1, n]
         )
 
+        include_upscatter = self.contains_upscatter and self.num_iteration!=0
         for num_layer in range(self.n_layers):
             # Setting up aliases for shorter code
             _coefs = Coefficients([], [])
             mat = self.materials[num_layer]
             src_matrix = mat.sigma_s + mat.sigma_in
             diffusion_const_n = self.diffusion_const[num_layer, n]
-            for g in range(n):
+            in_scatter_max_group = self.n_groups if include_upscatter else n+1
+            for g in range(in_scatter_max_group):
                 # if the characteristic length of group [g] coincides with the
                 # characteristic length of group [n], then that particular
                 # cosh/sinh would be indistinguishable from group [n]'s
                 # cosh/sinh anyways, therefore we can set the coefficient to 0.
+                if g==n:
+                    c_factor_guess = 0.0
+                    s_factor_guess = 0.0
+                    _coefs.c.append(c_factor_guess)
+                    _coefs.s.append(s_factor_guess)
+                    continue
                 scale_factor = 0.0
                 l2n, l2g = self.l2[num_layer, n], self.l2[num_layer, g]
                 if not np.isclose(l2_diff := (l2g - l2n), 0):
                     scale_factor = (l2n * l2g) / diffusion_const_n / l2_diff
+                in_scatter_min_group = 0 if include_upscatter else g
                 _coefs.c.append(
                     sum(
                         src_matrix[i, n] * self.coefficients[num_layer, i].c[g]
-                        for i in range(g, n)
+                        for i in range(
+                            in_scatter_min_group, in_scatter_max_group
+                        ) if i!=n
                     )
                     * scale_factor
                 )
                 _coefs.s.append(
                     sum(
                         src_matrix[i, n] * self.coefficients[num_layer, i].s[g]
-                        for i in range(g, n)
+                        for i in range(
+                            in_scatter_min_group, in_scatter_max_group
+                        ) if i!=n
                     )
                     * scale_factor
                 )
 
-            c_factor_guess = 0.0
-            s_factor_guess = 0.0
-            _coefs.c.append(c_factor_guess)
-            _coefs.s.append(s_factor_guess)
             self.coefficients[num_layer, n] = _coefs
 
         def _set_coefficients(input_vector: Iterable[float]):
@@ -715,6 +735,7 @@ def objective(coefficients_vector):
         ])
         results = optimize.root(objective, x0=x0)
         _set_coefficients(results.res)
+        self.num_iteration += 1
         return None
 
     def _check_if_in_layer(

From 6a8f20a0335d02940668ae141ac14a375e5f195d Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Tue, 25 Nov 2025 01:24:25 +0000
Subject: [PATCH 93/98] Slightly tidied up the code that calculates the
 non-central cosh/sinh's coefficients (i.e. coefficients used to cancel the
 flux shapes contributed by other groups).

---
 process/neutronics.py | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index f14a94e1c9..241aafb6af 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -665,10 +665,13 @@ def solve_group_n(self, n: int) -> None:
                     _coefs.c.append(c_factor_guess)
                     _coefs.s.append(s_factor_guess)
                     continue
-                scale_factor = 0.0
                 l2n, l2g = self.l2[num_layer, n], self.l2[num_layer, g]
-                if not np.isclose(l2_diff := (l2g - l2n), 0):
-                    scale_factor = (l2n * l2g) / diffusion_const_n / l2_diff
+                l2_diff = l2g - l2n
+                if np.isclose(l2_diff, 0):
+                    _coefs.c.append(0.0)
+                    _coefs.s.append(0.0)
+                    continue
+                scale_factor = (l2n * l2g) / diffusion_const_n / l2_diff
                 in_scatter_min_group = 0 if include_upscatter else g
                 _coefs.c.append(
                     sum(

From 367cb4e940c3ec2f49cb044ad639880b6bdce829 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Tue, 25 Nov 2025 02:37:59 +0000
Subject: [PATCH 94/98] Added placeholder list for summing up all of the
 skipped coefficients.

---
 process/neutronics.py | 11 +++++++----
 1 file changed, 7 insertions(+), 4 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 241aafb6af..eb3aad8e82 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -653,6 +653,7 @@ def solve_group_n(self, n: int) -> None:
             mat = self.materials[num_layer]
             src_matrix = mat.sigma_s + mat.sigma_in
             diffusion_const_n = self.diffusion_const[num_layer, n]
+            skipped_c_coefs, skipped_s_coefs = [], []
             in_scatter_max_group = self.n_groups if include_upscatter else n+1
             for g in range(in_scatter_max_group):
                 # if the characteristic length of group [g] coincides with the
@@ -660,14 +661,14 @@ def solve_group_n(self, n: int) -> None:
                 # cosh/sinh would be indistinguishable from group [n]'s
                 # cosh/sinh anyways, therefore we can set the coefficient to 0.
                 if g==n:
-                    c_factor_guess = 0.0
-                    s_factor_guess = 0.0
-                    _coefs.c.append(c_factor_guess)
-                    _coefs.s.append(s_factor_guess)
+                    _coefs.c.append(0.0)
+                    _coefs.s.append(0.0)
                     continue
                 l2n, l2g = self.l2[num_layer, n], self.l2[num_layer, g]
                 l2_diff = l2g - l2n
                 if np.isclose(l2_diff, 0):
+                    skipped_c_coefs.append(...)
+                    skipped_s_coefs.append(...)
                     _coefs.c.append(0.0)
                     _coefs.s.append(0.0)
                     continue
@@ -691,6 +692,8 @@ def solve_group_n(self, n: int) -> None:
                     )
                     * scale_factor
                 )
+            _coefs[num_layer, n].c[n] = sum(skipped_c_coefs)
+            _coefs[num_layer, n].s[n] = sum(skipped_s_coefs)
 
             self.coefficients[num_layer, n] = _coefs
 

From 311d63f3685db4d07760284fc87c96259ae17eb2 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Tue, 16 Dec 2025 11:03:57 +0000
Subject: [PATCH 95/98] slightly modified validate_length to allow for second+
 passes to have coefficient length = total number of groups rather than the
 current group number.

---
 process/neutronics.py | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index eb3aad8e82..05b5601e13 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -209,10 +209,14 @@ def __contains__(self, i: int):
         """Check if key 'i' is in the dictionary or not."""
         return i in self._dict
 
+    def __len__(self):
+        """Return the number of items in the """
+        return len(self._dict)
+
     def __setitem__(self, i: int, value: float):
         """Check if dict i is in the index or not."""
         if hasattr(value, "validate_length"):
-            value.validate_length(i + 1, parent_name=self.name)
+            value.validate_length(len(self) + 1, parent_name=self.name)
         self._dict[i] = value
         self._attempting_to_access.discard(i)
 

From 84e443e014797845f8333b287987d09eb3f07da1 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Tue, 16 Dec 2025 17:47:11 +0000
Subject: [PATCH 96/98] Put the cosh-sinh/cos-sin switching logic into
 dedicated methods, so the programmer won't have to write them out explicitly
 every time.

---
 process/neutronics.py | 126 +++++++++++++++++++++---------------------
 1 file changed, 62 insertions(+), 64 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 05b5601e13..a489fa4e0f 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -527,6 +527,55 @@ def _calculate_mean_energy_and_incident_bin(
         weighted_mean[first_bin] = init_neutron_e
         return weighted_mean, incident_neutron_group
 
+    def _groupwise_cs_values_in_layer(
+        self, n: int, num_layer: int, x: float | npt.NDArray
+    ) -> tuple[float, float] | tuple[npt.NDArray, npt.NDArray]:
+        """
+        Calculate the num_layer-th layer n-th basis function at the specified
+        x position(s).
+        """
+        abs_x = abs(x)
+        if self.l2[num_layer, n] > 0:
+            l = np.sqrt(self.l2[num_layer, n])
+            c, s = np.cosh, np.sinh
+        else:
+            l = np.sqrt(-self.l2[num_layer, n])
+            c, s = np.cos, np.sin
+        return c(abs_x / l), s(abs_x / l)
+
+    def _groupwise_cs_differential_in_layer(
+        self, n: int, num_layer: int, x: float | npt.NDArray
+    ) -> tuple[float, float] | tuple[npt.NDArray, npt.NDArray]:
+        """
+        Differentiate the num_layer-th layer n-th basis function, and evaluate
+        it at position(s) x.
+        """
+        abs_x = abs(x)
+        if self.l2[num_layer, n] > 0:
+            l = np.sqrt(self.l2[num_layer, n])
+            return np.sinh(abs_x / l) / l, np.cosh(abs_x / l) / l
+        l = np.sqrt(-self.l2[num_layer, n])
+        return -np.sin(abs_x / l) / l, np.cos(abs_x / l) / l
+
+    def _groupwise_cs_definite_integral_in_layer(
+        self, n: int, num_layer: int, x_lower: float | npt.NDArray, x_upper
+    ) -> tuple[float, float] | tuple[npt.NDArray, npt.NDArray]:
+        """
+        Integrate the num_layer-th layer n-th basis function
+        from x_lower to x_upper.
+        """
+        if self.l2[num_layer, n] > 0:
+            l = np.sqrt(self.l2[num_layer, n])
+            return (
+                l * (np.sinh(x_upper / l) - np.sinh(x_lower / l)),
+                l * (np.cosh(x_upper / l) - np.cosh(x_lower / l))
+            )
+        l = np.sqrt(-self.l2[num_layer, n])
+        return (
+            l * (np.sin(x_upper / l) - np.sin(x_lower / l)),
+            l * (np.cos(x_lower / l) - np.cos(x_upper / l))  # reverse sign
+        )
+
     def solve_lowest_group(self) -> None:
         """
         Solve the highest-energy (lowest-lethargy)-group's neutron diffusion equation.
@@ -793,20 +842,10 @@ def groupwise_neutron_flux_in_layer(
                 n, self.n_layers - 1, np.sign(x) * self.layer_x[-1]
             )
         trig_funcs = []
-        abs_x = abs(x)
         for g in range(n + 1):
-            if self.l2[num_layer, g] > 0:
-                c, s = np.cosh, np.sinh
-                l = np.sqrt(self.l2[num_layer, g])
-            else:
-                c, s = np.cos, np.sin
-                l = np.sqrt(-self.l2[num_layer, g])
-            trig_funcs.append(
-                self.coefficients[num_layer, n].c[g] * c(abs_x / l)
-            )
-            trig_funcs.append(
-                self.coefficients[num_layer, n].s[g] * s(abs_x / l)
-            )
+            c_val, s_val = self._groupwise_cs_values_in_layer(g, num_layer, x)
+            trig_funcs.append(self.coefficients[num_layer, n].c[g] * c_val)
+            trig_funcs.append(self.coefficients[num_layer, n].s[g] * s_val)
         return np.sum(trig_funcs, axis=0)
 
     @summarize_values
@@ -933,33 +972,12 @@ def groupwise_neutron_current_in_layer(
                 n, self.n_layers - 1, np.sign(x) * self.layer_x[-1]
             )
         differentials = []
-        abs_x = abs(x)
         for g in range(n + 1):
-            l2g = self.l2[num_layer, g]
-            if l2g > 0:
-                l = np.sqrt(l2g)
-                differentials.append(
-                    self.coefficients[num_layer, n].c[g]
-                    / l
-                    * np.sinh(abs_x / l)
-                )
-                differentials.append(
-                    self.coefficients[num_layer, n].s[g]
-                    / l
-                    * np.cosh(abs_x / l)
-                )
-            else:
-                l = np.sqrt(-l2g)
-                differentials.append(
-                    -self.coefficients[num_layer, n].c[g]
-                    / l
-                    * np.sin(abs_x / l)
-                )
-                differentials.append(
-                    self.coefficients[num_layer, n].s[g]
-                    / l
-                    * np.cos(abs_x / l)
-                )
+            c_diff, s_diff = self._groupwise_cs_differential_in_layer(
+                g, num_layer, x
+            )
+            differentials.append(self.coefficients[num_layer, n].c[g] * c_diff)
+            differentials.append(self.coefficients[num_layer, n].s[g] * s_diff)
 
         return (
             -self.diffusion_const[num_layer, n]
@@ -1085,31 +1103,11 @@ def groupwise_integrated_flux_in_layer(
         x_end = self.layer_x[num_layer]
 
         for g in range(n + 1):
-            l2g = self.l2[num_layer, g]
-            if l2g > 0:
-                l = np.sqrt(l2g)
-                integrals.append(
-                    l
-                    * self.coefficients[num_layer, n].c[g]
-                    * (np.sinh(x_end / l) - np.sinh(x_start / l))
-                )
-                integrals.append(
-                    l
-                    * self.coefficients[num_layer, n].s[g]
-                    * (np.cosh(x_end / l) - np.cosh(x_start / l))
-                )
-            else:
-                l = np.sqrt(-l2g)
-                integrals.append(
-                    l
-                    * self.coefficients[num_layer, n].c[g]
-                    * (np.sin(x_end / l) - np.sin(x_start / l))
-                )
-                integrals.append(
-                    -l
-                    * self.coefficients[num_layer, n].s[g]
-                    * (np.cos(x_end / l) - np.cos(x_start / l))
-                )
+            c_int, s_int = self._groupwise_cs_definite_integral_in_layer(
+                g, num_layer, x_start, x_end
+            )
+            integrals.append(self.coefficients[num_layer, n].c[g] * c_int)
+            integrals.append(self.coefficients[num_layer, n].s[g] * s_int)
         return np.sum(integrals, axis=0)
 
     @summarize_values

From 055109c7ca555d2a4238477403987de2e0a9237c Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 17 Dec 2025 16:22:57 +0000
Subject: [PATCH 97/98] Added feature to count the number of coefficient pairs.

---
 process/neutronics.py | 16 ++++++++++++++++
 1 file changed, 16 insertions(+)

diff --git a/process/neutronics.py b/process/neutronics.py
index a489fa4e0f..24e0c403eb 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -152,6 +152,22 @@ class Coefficients:
     c: Iterable[float]
     s: Iterable[float]
 
+    @property
+    def num_coef_pairs(self) -> int:
+        """
+        The length of .c and .s, which should be the same.
+        Raises
+        ------
+        ValueError:
+            If .c and .s do not match in length, then we have a problem.
+        """
+        if len(self.c)!=len(self.s):
+            raise ValueError(
+                "Mismatched lengths between "
+                f"c ({len(self.c)}) and s ({len(self.s)})"
+            )
+        return len(self.c)
+
     def validate_length(self, exp_len: int, parent_name: str):
         """Validate that all fields has the correct length."""
         for const_name, const_value in asdict(self).items():

From 73734e35590c7b3c8dd0ef541faedd9a689ec3e5 Mon Sep 17 00:00:00 2001
From: ocean <OceanWongUK@gmail.com>
Date: Wed, 17 Dec 2025 17:11:09 +0000
Subject: [PATCH 98/98] THe problem of deducing the next layer's coefficient
 given the previous layer can be written as an affine transformation in linear
 algebra (y = Ax+b). The method _get_propagation_matrix_and_offset_vec returns
 A and b. num_coef_pairs is no longer needed so is deleted.

---
 process/neutronics.py | 91 ++++++++++++++++++++++++++++++-------------
 1 file changed, 64 insertions(+), 27 deletions(-)

diff --git a/process/neutronics.py b/process/neutronics.py
index 24e0c403eb..f80d038110 100644
--- a/process/neutronics.py
+++ b/process/neutronics.py
@@ -152,22 +152,6 @@ class Coefficients:
     c: Iterable[float]
     s: Iterable[float]
 
-    @property
-    def num_coef_pairs(self) -> int:
-        """
-        The length of .c and .s, which should be the same.
-        Raises
-        ------
-        ValueError:
-            If .c and .s do not match in length, then we have a problem.
-        """
-        if len(self.c)!=len(self.s):
-            raise ValueError(
-                "Mismatched lengths between "
-                f"c ({len(self.c)}) and s ({len(self.s)})"
-            )
-        return len(self.c)
-
     def validate_length(self, exp_len: int, parent_name: str):
         """Validate that all fields has the correct length."""
         for const_name, const_value in asdict(self).items():
@@ -545,7 +529,7 @@ def _calculate_mean_energy_and_incident_bin(
 
     def _groupwise_cs_values_in_layer(
         self, n: int, num_layer: int, x: float | npt.NDArray
-    ) -> tuple[float, float] | tuple[npt.NDArray, npt.NDArray]:
+    ) -> npt.NDArray:
         """
         Calculate the num_layer-th layer n-th basis function at the specified
         x position(s).
@@ -557,7 +541,7 @@ def _groupwise_cs_values_in_layer(
         else:
             l = np.sqrt(-self.l2[num_layer, n])
             c, s = np.cos, np.sin
-        return c(abs_x / l), s(abs_x / l)
+        return np.array([c(abs_x / l), s(abs_x / l)])
 
     def _groupwise_cs_differential_in_layer(
         self, n: int, num_layer: int, x: float | npt.NDArray
@@ -569,9 +553,9 @@ def _groupwise_cs_differential_in_layer(
         abs_x = abs(x)
         if self.l2[num_layer, n] > 0:
             l = np.sqrt(self.l2[num_layer, n])
-            return np.sinh(abs_x / l) / l, np.cosh(abs_x / l) / l
+            return np.array([np.sinh(abs_x / l) / l, np.cosh(abs_x / l) / l])
         l = np.sqrt(-self.l2[num_layer, n])
-        return -np.sin(abs_x / l) / l, np.cos(abs_x / l) / l
+        return np.array([-np.sin(abs_x / l) / l, np.cos(abs_x / l) / l])
 
     def _groupwise_cs_definite_integral_in_layer(
         self, n: int, num_layer: int, x_lower: float | npt.NDArray, x_upper
@@ -582,15 +566,15 @@ def _groupwise_cs_definite_integral_in_layer(
         """
         if self.l2[num_layer, n] > 0:
             l = np.sqrt(self.l2[num_layer, n])
-            return (
+            return np.array([
                 l * (np.sinh(x_upper / l) - np.sinh(x_lower / l)),
                 l * (np.cosh(x_upper / l) - np.cosh(x_lower / l))
-            )
+            ])
         l = np.sqrt(-self.l2[num_layer, n])
-        return (
+        return np.array([
             l * (np.sin(x_upper / l) - np.sin(x_lower / l)),
             l * (np.cos(x_lower / l) - np.cos(x_upper / l))  # reverse sign
-        )
+        ])
 
     def solve_lowest_group(self) -> None:
         """
@@ -666,9 +650,62 @@ def solve_lowest_group(self) -> None:
                 [bz_c_factor], [bz_s_factor]
             )
         else:
-            raise NotImplementedError("Only implemented 2 groups so far.")
+            return NotImplemented
         return
 
+    def _get_propagation_matrix_and_offset_vec(n: int, num_layer: int):
+        """
+        Infer this layer's main basis functions' coefficients (.c[n] and .s[n])
+        using using the previous layer's basis functions.
+        """
+        x_j = self.interface_x[num_layer]
+        coefs_in = np.array(astuple(self.coefficients[num_layer - 1, n])).T
+        coefs_jn = np.array(astuple(self.coefficients[num_layer, n])).T
+        d_in = self.diffusion_const[num_layer-1, n]
+        d_jn = self.diffusion_const[num_layer, n]
+        l_in = self.l2[num_layer-1, n]
+        l_jn = self.l2[num_layer, n]
+
+        diff_residual_flux = (sum(
+                cs_coef_pair @ self._groupwise_cs_values_in_layer(
+                    g, num_layer - 1, x_j
+                )
+                for g, cs_coef_pair in enumerate(coefs_in) if g!=n
+            ) - sum(
+                cs_coef_pair @ self._groupwise_cs_values_in_layer(
+                    g, num_layer, x_j
+                )
+                for g, cs_coef_pair in enumerate(coefs_jn) if g!=n
+            )
+        )
+        diff_residual_current = l_jn * (
+            - d_in/d_jn * sum(
+                cs_coef_pair @ self._groupwise_cs_differential_in_layer(
+                    g, num_layer - 1, x_j
+                )
+                for g, cs_coef_pair in enumerate(coefs_in) if g!=n
+            )
+            + sum(
+                cs_coef_pair @ self._groupwise_cs_differential_in_layer(
+                    g, num_layer, x_j
+                )
+                for g, cs_coef_pair in enumerate(coefs_jn) if g!=n
+            )
+        )
+        shift_vector = np.array([diff_residual_flux, diff_residual_current])
+
+        transformation_matrix = np.array([
+            self._groupwise_cs_values_in_layer(n, num_layer - 1, x_j),
+            -l_jn / d_jn * d_in / l_in * (
+                self._groupwise_cs_differential_in_layer(n, num_layer - 1, x_j)
+            ),
+        ])
+        A = np.array([
+            self._groupwise_cs_values_in_layer(n, num_layer, x_j),
+            -self._groupwise_cs_differential_in_layer(n, num_layer, x_j),
+        ])
+        return A @ transformation_matrix, A @ shift_vector
+
     def solve_group_n(self, n: int) -> None:
         """
         Solve the n-th group of neutron's diffusion equation, where n <=
@@ -761,8 +798,8 @@ def solve_group_n(self, n: int) -> None:
                     )
                     * scale_factor
                 )
-            _coefs[num_layer, n].c[n] = sum(skipped_c_coefs)
-            _coefs[num_layer, n].s[n] = sum(skipped_s_coefs)
+            _coefs[num_layer, n].c[n] = ... - sum(skipped_c_coefs)
+            _coefs[num_layer, n].s[n] = ... - sum(skipped_s_coefs)
 
             self.coefficients[num_layer, n] = _coefs