From 189154e4dff685e9d0ae1f41037abbb53065c8d7 Mon Sep 17 00:00:00 2001 From: Max Hoffmann Date: Tue, 30 Dec 2025 15:15:09 -0300 Subject: [PATCH] Fix OTF backend compilation errors Use selective module imports to resolve Fortran naming conflicts between species constants, site names, and user parameters. - run_proc files import from lattice module (array wrappers) not base - proclist.f90 uses selective imports for species and processes - proclist_pars.f90 skips species that conflict with user parameters - Remove unnecessary site name imports from proclist_constants Add OTF backend to test_run.py test suite with reference trajectory. --- kmos/fortran_src/base_otf.f90 | 2 +- kmos/fortran_src/proclist_constants_otf.mpy | 20 +- kmos/io.py | 74 +- kmos/utils/__init__.py | 34 +- .../reference_export_intZGB_otf/base.f90 | 2 +- .../reference_export_intZGB_otf/proclist.f90 | 28 +- .../proclist_constants.f90 | 4 - .../proclist_pars.f90 | 16 +- .../run_proc_0001.f90 | 34 +- .../run_proc_0002.f90 | 34 +- .../run_proc_0003.f90 | 34 +- .../run_proc_0004.f90 | 34 +- .../run_proc_0005.f90 | 34 +- .../run_proc_0006.f90 | 34 +- .../run_proc_0007.f90 | 34 +- .../run_proc_0008.f90 | 34 +- .../run_proc_0009.f90 | 34 +- .../run_proc_0010.f90 | 34 +- .../export_test/reference_export_otf/base.f90 | 2 +- .../reference_export_otf/kind_values.f90 | 16 + .../export_test/reference_export_otf/main.f90 | 37 + .../reference_export_otf/proclist.f90 | 80 +- .../proclist_constants.f90 | 5 - .../reference_export_otf/proclist_pars.f90 | 42 +- .../reference_export_otf/run_proc_0001.f90 | 87 +- .../reference_export_otf/run_proc_0002.f90 | 87 +- .../reference_export_otf/run_proc_0003.f90 | 87 +- .../reference_export_otf/run_proc_0004.f90 | 87 +- .../reference_export_otf/run_proc_0005.f90 | 87 +- .../reference_export_otf/run_proc_0006.f90 | 87 +- .../reference_export_otf/run_proc_0007.f90 | 87 +- .../reference_export_otf/run_proc_0008.f90 | 87 +- .../reference_export_otf/run_proc_0009.f90 | 87 +- .../reference_export_otf/run_proc_0010.f90 | 87 +- .../reference_export_otf/run_proc_0011.f90 | 87 +- .../reference_export_otf/run_proc_0012.f90 | 87 +- .../reference_export_otf/run_proc_0013.f90 | 87 +- .../reference_export_otf/run_proc_0014.f90 | 87 +- .../reference_export_otf/run_proc_0015.f90 | 87 +- .../reference_export_otf/run_proc_0016.f90 | 87 +- .../reference_export_otf/run_proc_0017.f90 | 87 +- .../reference_export_otf/run_proc_0018.f90 | 87 +- .../reference_export_otf/run_proc_0019.f90 | 87 +- .../reference_export_otf/run_proc_0020.f90 | 87 +- .../reference_export_otf/run_proc_0021.f90 | 87 +- .../reference_export_otf/run_proc_0022.f90 | 87 +- .../reference_export_otf/run_proc_0023.f90 | 87 +- .../reference_export_otf/run_proc_0024.f90 | 87 +- .../reference_export_otf/run_proc_0025.f90 | 87 +- .../reference_export_otf/run_proc_0026.f90 | 87 +- .../reference_export_otf/run_proc_0027.f90 | 87 +- .../reference_export_otf/run_proc_0028.f90 | 87 +- .../reference_export_otf/run_proc_0029.f90 | 87 +- .../reference_export_otf/run_proc_0030.f90 | 87 +- .../reference_export_otf/run_proc_0031.f90 | 87 +- .../reference_export_otf/run_proc_0032.f90 | 87 +- .../reference_export_otf/run_proc_0033.f90 | 87 +- .../reference_export_otf/run_proc_0034.f90 | 87 +- .../reference_export_otf/run_proc_0035.f90 | 87 +- .../reference_export_otf/run_proc_0036.f90 | 87 +- .../_tmp_export_otf/ref_procs_sites_otf.log | 10000 ++++++++++++++++ tests/test_run/test_run.py | 12 +- 62 files changed, 13705 insertions(+), 141 deletions(-) create mode 100644 tests/export_test/reference_export_otf/kind_values.f90 create mode 100644 tests/export_test/reference_export_otf/main.f90 create mode 100644 tests/test_run/_tmp_export_otf/ref_procs_sites_otf.log diff --git a/kmos/fortran_src/base_otf.f90 b/kmos/fortran_src/base_otf.f90 index c2f45bb1..c67ff4e1 100644 --- a/kmos/fortran_src/base_otf.f90 +++ b/kmos/fortran_src/base_otf.f90 @@ -293,7 +293,7 @@ subroutine add_proc(proc, site, rate) ! ARGUMENTS ! ! * ``proc`` positive integer number that represents the process to be added. - ! * ``site`` positive integer number that represents the site to be manipulated + ! * ``site`` positive integer that represents the site to be manipulated !****** integer(kind=iint), intent(in) :: proc, site real(kind=rdouble), intent(in) :: rate diff --git a/kmos/fortran_src/proclist_constants_otf.mpy b/kmos/fortran_src/proclist_constants_otf.mpy index 2b8f7f43..ab3c3b31 100644 --- a/kmos/fortran_src/proclist_constants_otf.mpy +++ b/kmos/fortran_src/proclist_constants_otf.mpy @@ -9,22 +9,12 @@ gpl = self._gpl_message() #@ #@ module {module_name} #@ use kind_values -#@ use lattice, only: & -site_params = [] -for layer in data.layer_list: - #@ {layer.name}, & - for site in layer.sites: - site_params.append((site.name, layer.name)) - -for i, (site, layer) in enumerate(site_params): - #@ {layer}_{site}, & -#@ get_species -#@ -#@ +#@ +#@ #@ implicit none -#@ -#@ -#@ +#@ +#@ +#@ # initialize various parameter kind of data #@ ! Species constants diff --git a/kmos/io.py b/kmos/io.py index f3bc561c..266b1882 100644 --- a/kmos/io.py +++ b/kmos/io.py @@ -2752,7 +2752,19 @@ def write_proclist_pars_otf(self, data, out, separate_files=False): out.write("use kind_values\n") out.write("use base, only: &\n") out.write("%srates\n" % (" " * indent)) - out.write("use proclist_constants\n") + # Import species and process constants from proclist_constants + # Avoid importing species that conflict with user parameter names + parameter_names = [p.name for p in data.parameter_list] + out.write("use proclist_constants, only: &\n") + for i, species in enumerate(data.species_list): + # Only import species that don't conflict with user parameters + if species.name not in parameter_names: + out.write("%s%s, &\n" % (" " * indent, species.name)) + for i, process in enumerate(data.process_list): + if i < len(data.process_list) - 1: + out.write("%s%s, &\n" % (" " * indent, process.name)) + else: + out.write("%s%s\n" % (" " * indent, process.name)) out.write("use lattice, only: &\n") site_params = [] for layer in data.layer_list: @@ -2762,7 +2774,14 @@ def write_proclist_pars_otf(self, data, out, separate_files=False): for site, layer in site_params: out.write("%s%s_%s, &\n" % (" " * indent, layer, site)) out.write("%sget_species\n" % (" " * indent)) - out.write("\nimplicit none\n\n") + out.write("\nimplicit none\n") + # Make rate_* functions private so f2py doesn't try to wrap them + out.write("private :: ") + for i, process in enumerate(data.process_list): + if i < len(data.process_list) - 1: + out.write("rate_{0}, ".format(process.name)) + else: + out.write("rate_{0}\n\n".format(process.name)) units_list, masses_list, chempot_list = self._otf_get_auxilirary_params(data) @@ -3235,8 +3254,23 @@ def write_proclist_otf(self, data, out, separate_files=True, debug=False): ) out.write(" get_species\n") - out.write("use proclist_constants\n") - out.write("use proclist_pars\n") + # Import species and processes from proclist_constants to avoid conflicts + out.write("use proclist_constants, only: &\n") + out.write(" default_species, &\n") + for i, species in enumerate(data.species_list): + out.write(" %s, &\n" % species.name) + for i, process in enumerate(data.process_list): + if i < len(data.process_list) - 1: + out.write(" %s, &\n" % process.name) + else: + out.write(" %s\n" % process.name) + # Import only gr_* functions from proclist_pars to avoid conflicts with user parameters + out.write("use proclist_pars, only: &\n") + for i, process in enumerate(data.process_list): + if i < len(data.process_list) - 1: + out.write(" gr_%s, &\n" % process.name) + else: + out.write(" gr_%s\n" % process.name) if separate_files and self.separate_proclist_pars: for i in range(len(data.process_list)): out.write("use run_proc_{0:04d}; use gr_{0:04d}\n".format(i + 1)) @@ -3394,8 +3428,36 @@ def write_proclist_run_proc_name_otf( out2 = open("{0}/run_proc_{1:04d}.f90".format(self.dir, iproc + 1), "w") out2.write("module run_proc_{0:04d}\n\n".format(iproc + 1)) out2.write("use kind_values\n") - out2.write("use lattice\n") - out2.write("use proclist_pars\n") + # Import lattice manipulation functions from lattice module + # (lattice provides wrappers that accept arrays and convert internally) + out2.write("use lattice, only: &\n") + site_params = [] + for layer in data.layer_list: + for site in layer.sites: + site_params.append((site.name, layer.name)) + for i, (site, layer) in enumerate(site_params): + out2.write("%s%s_%s, &\n" % (" " * indent, layer, site)) + out2.write("%scan_do, &\n" % (" " * indent)) + out2.write("%sdel_proc, &\n" % (" " * indent)) + out2.write("%sadd_proc, &\n" % (" " * indent)) + out2.write("%sreplace_species, &\n" % (" " * indent)) + out2.write("%sget_species\n" % (" " * indent)) + # Import species and processes from proclist_constants to avoid conflict with parameter indices + out2.write("use proclist_constants, only: &\n") + for i, species in enumerate(data.species_list): + out2.write("%s%s, &\n" % (" " * indent, species.name)) + for i, process in enumerate(data.process_list): + if i < len(data.process_list) - 1: + out2.write("%s%s, &\n" % (" " * indent, process.name)) + else: + out2.write("%s%s\n" % (" " * indent, process.name)) + # Import only gr_* functions from proclist_pars to avoid conflicts with user parameters + out2.write("use proclist_pars, only: &\n") + for i, process in enumerate(data.process_list): + if i < len(data.process_list) - 1: + out2.write("%sgr_%s, &\n" % (" " * indent, process.name)) + else: + out2.write("%sgr_%s\n" % (" " * indent, process.name)) if self.separate_proclist_pars: for i in range(nprocs): out2.write("use gr_{0:04d}\n".format(i + 1)) diff --git a/kmos/utils/__init__.py b/kmos/utils/__init__.py index 1fca4ca8..2b24bf3f 100644 --- a/kmos/utils/__init__.py +++ b/kmos/utils/__init__.py @@ -304,19 +304,29 @@ def import_selected_kind(): "f2py_selected_kind", ] print("%s\n" % os.path.abspath(os.curdir)) + + # Find gfortran compiler + import shutil + + gfortran_path = shutil.which("gfortran") + + # Set up environment with correct compiler paths + env_vars = { + "LIBRARY_PATH": os.environ.get("LIBRARY_PATH", "") + + ":/Library/Developer/CommandLineTools/SDKs/MacOSX.sdk/usr/lib" + } + if gfortran_path: + env_vars["FC"] = gfortran_path + result = subprocess.run( f2py_command, capture_output=True, text=True, - env=dict( - os.environ, - **{ - "LIBRARY_PATH": os.environ.get("LIBRARY_PATH", "") - + ":/Library/Developer/CommandLineTools/SDKs/MacOSX.sdk/usr/lib" - }, - ), + env=dict(os.environ, **env_vars), ) print(result.stdout) + if result.stderr: + print(result.stderr) try: import f2py_selected_kind except Exception as e: @@ -489,6 +499,16 @@ def build(options): # Set FC for meson backend (Python >= 3.12) to compiler name only # Meson has issues with FC containing full paths if sys.version_info >= (3, 12): + # Ensure gfortran is in PATH for meson to find + import shutil + + gfortran_path = shutil.which("gfortran") + if gfortran_path: + gfortran_dir = os.path.dirname(gfortran_path) + current_path = os.environ.get("PATH", "") + if gfortran_dir not in current_path: + os.environ["PATH"] = f"{gfortran_dir}:{current_path}" + fc_map = { "gfortran": "gfortran", "gnu95": "gfortran", diff --git a/tests/export_test/reference_export_intZGB_otf/base.f90 b/tests/export_test/reference_export_intZGB_otf/base.f90 index c2f45bb1..c67ff4e1 100644 --- a/tests/export_test/reference_export_intZGB_otf/base.f90 +++ b/tests/export_test/reference_export_intZGB_otf/base.f90 @@ -293,7 +293,7 @@ subroutine add_proc(proc, site, rate) ! ARGUMENTS ! ! * ``proc`` positive integer number that represents the process to be added. - ! * ``site`` positive integer number that represents the site to be manipulated + ! * ``site`` positive integer that represents the site to be manipulated !****** integer(kind=iint), intent(in) :: proc, site real(kind=rdouble), intent(in) :: rate diff --git a/tests/export_test/reference_export_intZGB_otf/proclist.f90 b/tests/export_test/reference_export_intZGB_otf/proclist.f90 index b12fcbaf..b0767742 100644 --- a/tests/export_test/reference_export_intZGB_otf/proclist.f90 +++ b/tests/export_test/reference_export_intZGB_otf/proclist.f90 @@ -26,8 +26,32 @@ module proclist update_rates_matrix, & spuck, & get_species -use proclist_constants -use proclist_pars +use proclist_constants, only: & + default_species, & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 use run_proc_0001 use run_proc_0002 use run_proc_0003 diff --git a/tests/export_test/reference_export_intZGB_otf/proclist_constants.f90 b/tests/export_test/reference_export_intZGB_otf/proclist_constants.f90 index 1ff8b372..2371bb05 100644 --- a/tests/export_test/reference_export_intZGB_otf/proclist_constants.f90 +++ b/tests/export_test/reference_export_intZGB_otf/proclist_constants.f90 @@ -27,10 +27,6 @@ module proclist_constants use kind_values -use lattice, only: & - square, & - square_default, & - get_species implicit none diff --git a/tests/export_test/reference_export_intZGB_otf/proclist_pars.f90 b/tests/export_test/reference_export_intZGB_otf/proclist_pars.f90 index a17adca2..4db975a9 100644 --- a/tests/export_test/reference_export_intZGB_otf/proclist_pars.f90 +++ b/tests/export_test/reference_export_intZGB_otf/proclist_pars.f90 @@ -22,13 +22,27 @@ module proclist_pars use kind_values use base, only: & rates -use proclist_constants +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 use lattice, only: & square, & square_default, & get_species implicit none +private :: rate_CO_ads, rate_CO_des, rate_CO_oxidation_00, rate_CO_oxidation_01, rate_CO_oxidation_02, rate_CO_oxidation_03, rate_O2_des_right, rate_O2_des_up, rate_O_ads_00, rate_O_ads_01 ! User parameters integer(kind=iint), public :: J_CO_CO = 1 diff --git a/tests/export_test/reference_export_intZGB_otf/run_proc_0001.f90 b/tests/export_test/reference_export_intZGB_otf/run_proc_0001.f90 index a8cfffdf..4d6892a2 100644 --- a/tests/export_test/reference_export_intZGB_otf/run_proc_0001.f90 +++ b/tests/export_test/reference_export_intZGB_otf/run_proc_0001.f90 @@ -1,8 +1,38 @@ module run_proc_0001 use kind_values -use lattice -use proclist_pars +use lattice, only: & + square_default, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 implicit none contains diff --git a/tests/export_test/reference_export_intZGB_otf/run_proc_0002.f90 b/tests/export_test/reference_export_intZGB_otf/run_proc_0002.f90 index c5dc849d..88856d43 100644 --- a/tests/export_test/reference_export_intZGB_otf/run_proc_0002.f90 +++ b/tests/export_test/reference_export_intZGB_otf/run_proc_0002.f90 @@ -1,8 +1,38 @@ module run_proc_0002 use kind_values -use lattice -use proclist_pars +use lattice, only: & + square_default, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 implicit none contains diff --git a/tests/export_test/reference_export_intZGB_otf/run_proc_0003.f90 b/tests/export_test/reference_export_intZGB_otf/run_proc_0003.f90 index 3c8966f3..e82230fb 100644 --- a/tests/export_test/reference_export_intZGB_otf/run_proc_0003.f90 +++ b/tests/export_test/reference_export_intZGB_otf/run_proc_0003.f90 @@ -1,8 +1,38 @@ module run_proc_0003 use kind_values -use lattice -use proclist_pars +use lattice, only: & + square_default, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 implicit none contains diff --git a/tests/export_test/reference_export_intZGB_otf/run_proc_0004.f90 b/tests/export_test/reference_export_intZGB_otf/run_proc_0004.f90 index 50bfcc8b..09db4941 100644 --- a/tests/export_test/reference_export_intZGB_otf/run_proc_0004.f90 +++ b/tests/export_test/reference_export_intZGB_otf/run_proc_0004.f90 @@ -1,8 +1,38 @@ module run_proc_0004 use kind_values -use lattice -use proclist_pars +use lattice, only: & + square_default, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 implicit none contains diff --git a/tests/export_test/reference_export_intZGB_otf/run_proc_0005.f90 b/tests/export_test/reference_export_intZGB_otf/run_proc_0005.f90 index 9852c069..f6d001ac 100644 --- a/tests/export_test/reference_export_intZGB_otf/run_proc_0005.f90 +++ b/tests/export_test/reference_export_intZGB_otf/run_proc_0005.f90 @@ -1,8 +1,38 @@ module run_proc_0005 use kind_values -use lattice -use proclist_pars +use lattice, only: & + square_default, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 implicit none contains diff --git a/tests/export_test/reference_export_intZGB_otf/run_proc_0006.f90 b/tests/export_test/reference_export_intZGB_otf/run_proc_0006.f90 index 51f7ffcd..3132e739 100644 --- a/tests/export_test/reference_export_intZGB_otf/run_proc_0006.f90 +++ b/tests/export_test/reference_export_intZGB_otf/run_proc_0006.f90 @@ -1,8 +1,38 @@ module run_proc_0006 use kind_values -use lattice -use proclist_pars +use lattice, only: & + square_default, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 implicit none contains diff --git a/tests/export_test/reference_export_intZGB_otf/run_proc_0007.f90 b/tests/export_test/reference_export_intZGB_otf/run_proc_0007.f90 index 4c4d2fbd..f63a075a 100644 --- a/tests/export_test/reference_export_intZGB_otf/run_proc_0007.f90 +++ b/tests/export_test/reference_export_intZGB_otf/run_proc_0007.f90 @@ -1,8 +1,38 @@ module run_proc_0007 use kind_values -use lattice -use proclist_pars +use lattice, only: & + square_default, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 implicit none contains diff --git a/tests/export_test/reference_export_intZGB_otf/run_proc_0008.f90 b/tests/export_test/reference_export_intZGB_otf/run_proc_0008.f90 index 4538796c..c476a09a 100644 --- a/tests/export_test/reference_export_intZGB_otf/run_proc_0008.f90 +++ b/tests/export_test/reference_export_intZGB_otf/run_proc_0008.f90 @@ -1,8 +1,38 @@ module run_proc_0008 use kind_values -use lattice -use proclist_pars +use lattice, only: & + square_default, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 implicit none contains diff --git a/tests/export_test/reference_export_intZGB_otf/run_proc_0009.f90 b/tests/export_test/reference_export_intZGB_otf/run_proc_0009.f90 index 9bd04704..73a0604f 100644 --- a/tests/export_test/reference_export_intZGB_otf/run_proc_0009.f90 +++ b/tests/export_test/reference_export_intZGB_otf/run_proc_0009.f90 @@ -1,8 +1,38 @@ module run_proc_0009 use kind_values -use lattice -use proclist_pars +use lattice, only: & + square_default, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 implicit none contains diff --git a/tests/export_test/reference_export_intZGB_otf/run_proc_0010.f90 b/tests/export_test/reference_export_intZGB_otf/run_proc_0010.f90 index 418249bc..2d0d70c1 100644 --- a/tests/export_test/reference_export_intZGB_otf/run_proc_0010.f90 +++ b/tests/export_test/reference_export_intZGB_otf/run_proc_0010.f90 @@ -1,8 +1,38 @@ module run_proc_0010 use kind_values -use lattice -use proclist_pars +use lattice, only: & + square_default, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + CO, & + O, & + empty, & + CO_ads, & + CO_des, & + CO_oxidation_00, & + CO_oxidation_01, & + CO_oxidation_02, & + CO_oxidation_03, & + O2_des_right, & + O2_des_up, & + O_ads_00, & + O_ads_01 +use proclist_pars, only: & + gr_CO_ads, & + gr_CO_des, & + gr_CO_oxidation_00, & + gr_CO_oxidation_01, & + gr_CO_oxidation_02, & + gr_CO_oxidation_03, & + gr_O2_des_right, & + gr_O2_des_up, & + gr_O_ads_00, & + gr_O_ads_01 implicit none contains diff --git a/tests/export_test/reference_export_otf/base.f90 b/tests/export_test/reference_export_otf/base.f90 index c2f45bb1..c67ff4e1 100644 --- a/tests/export_test/reference_export_otf/base.f90 +++ b/tests/export_test/reference_export_otf/base.f90 @@ -293,7 +293,7 @@ subroutine add_proc(proc, site, rate) ! ARGUMENTS ! ! * ``proc`` positive integer number that represents the process to be added. - ! * ``site`` positive integer number that represents the site to be manipulated + ! * ``site`` positive integer that represents the site to be manipulated !****** integer(kind=iint), intent(in) :: proc, site real(kind=rdouble), intent(in) :: rate diff --git a/tests/export_test/reference_export_otf/kind_values.f90 b/tests/export_test/reference_export_otf/kind_values.f90 new file mode 100644 index 00000000..bf6a50cb --- /dev/null +++ b/tests/export_test/reference_export_otf/kind_values.f90 @@ -0,0 +1,16 @@ +!/* ROBODOC this makes robodoc to document this file */ +module kind_values +!****h* libkmc/kind_values +! FUNCTION +! This module offers kind_values for commonly +! used intrinsic types in a platform independent way. +!****** +implicit none + +integer, parameter :: rsingle = SELECTED_REAL_KIND(p=15, r=200) +integer, parameter :: rdouble = SELECTED_REAL_KIND(p=15, r=200) +integer, parameter :: ibyte = SELECTED_INT_KIND(p=2) +integer, parameter :: ishort = SELECTED_INT_KIND(p=4) +integer, parameter :: iint = SELECTED_INT_KIND(p=9) +integer, parameter :: ilong = SELECTED_INT_KIND(p=18) +end module kind_values diff --git a/tests/export_test/reference_export_otf/main.f90 b/tests/export_test/reference_export_otf/main.f90 new file mode 100644 index 00000000..1b443a8b --- /dev/null +++ b/tests/export_test/reference_export_otf/main.f90 @@ -0,0 +1,37 @@ +program main + +! Just a small stub program to illustrate what a pure F90 client could look like +! in case Python or f2py is not available. +! +! Though for practical purposes using +! the f2py generated Python bindings +! is strongly recommended for all to +! run, inspect, and evaluate the kMC model. + +use kind_values, only: rdouble +use base, only: set_rate_const +use proclist, only : do_kmc_step, init, nr_of_proc +use lattice, only : deallocate_system, default_layer, model_dimension + +character(400) :: sname = 'main' +integer, dimension(model_dimension) :: msize = 100 +integer :: i +real(kind=rdouble) :: rate = 8000. + +! initialize model +call init(msize, sname, default_layer, .true.) + +! set rate constants +do i = 1, nr_of_proc + call set_rate_const(i, rate) +enddo + +! run some steps +do i = 1, 1000000 + call do_kmc_step +enddo + +! deallocate +call deallocate_system + +end program main diff --git a/tests/export_test/reference_export_otf/proclist.f90 b/tests/export_test/reference_export_otf/proclist.f90 index bddd1f82..46e827ec 100644 --- a/tests/export_test/reference_export_otf/proclist.f90 +++ b/tests/export_test/reference_export_otf/proclist.f90 @@ -27,8 +27,84 @@ module proclist update_rates_matrix, & spuck, & get_species -use proclist_constants -use proclist_pars +use proclist_constants, only: & + default_species, & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up use run_proc_0001 use run_proc_0002 use run_proc_0003 diff --git a/tests/export_test/reference_export_otf/proclist_constants.f90 b/tests/export_test/reference_export_otf/proclist_constants.f90 index b97fec63..de33de27 100644 --- a/tests/export_test/reference_export_otf/proclist_constants.f90 +++ b/tests/export_test/reference_export_otf/proclist_constants.f90 @@ -27,11 +27,6 @@ module proclist_constants use kind_values -use lattice, only: & - ruo2, & - ruo2_bridge, & - ruo2_cus, & - get_species implicit none diff --git a/tests/export_test/reference_export_otf/proclist_pars.f90 b/tests/export_test/reference_export_otf/proclist_pars.f90 index d3de248e..a6125370 100644 --- a/tests/export_test/reference_export_otf/proclist_pars.f90 +++ b/tests/export_test/reference_export_otf/proclist_pars.f90 @@ -22,7 +22,46 @@ module proclist_pars use kind_values use base, only: & rates -use proclist_constants +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up use lattice, only: & ruo2, & ruo2_bridge, & @@ -30,6 +69,7 @@ module proclist_pars get_species implicit none +private :: rate_co_adsorption_bridge, rate_co_adsorption_cus, rate_co_desorption_bridge, rate_co_desorption_cus, rate_co_diffusion_bridge_bridge_down, rate_co_diffusion_bridge_bridge_up, rate_co_diffusion_bridge_cus_left, rate_co_diffusion_bridge_cus_right, rate_co_diffusion_cus_bridge_left, rate_co_diffusion_cus_bridge_right, rate_co_diffusion_cus_cus_down, rate_co_diffusion_cus_cus_up, rate_oxygen_adsorption_bridge_bridge, rate_oxygen_adsorption_bridge_cus_le0000, rate_oxygen_adsorption_bridge_cus_ri0000, rate_oxygen_adsorption_cus_cus, rate_oxygen_desorption_bridge_bridge, rate_oxygen_desorption_bridge_cus_le0000, rate_oxygen_desorption_bridge_cus_ri0000, rate_oxygen_desorption_cus_cus, rate_oxygen_diffusion_bridge_bridge_0000, rate_oxygen_diffusion_bridge_bridge_0001, rate_oxygen_diffusion_bridge_cus_lef0000, rate_oxygen_diffusion_bridge_cus_rig0000, rate_oxygen_diffusion_cus_bridge_lef0000, rate_oxygen_diffusion_cus_bridge_rig0000, rate_oxygen_diffusion_cus_cus_down, rate_oxygen_diffusion_cus_cus_up, rate_reaction_oxygen_bridge_co_bridg0000, rate_reaction_oxygen_bridge_co_bridg0001, rate_reaction_oxygen_bridge_co_cus_l0000, rate_reaction_oxygen_bridge_co_cus_r0000, rate_reaction_oxygen_cus_co_bridge_l0000, rate_reaction_oxygen_cus_co_bridge_r0000, rate_reaction_oxygen_cus_co_cus_down, rate_reaction_oxygen_cus_co_cus_up ! User parameters integer(kind=iint), public :: A = 1 diff --git a/tests/export_test/reference_export_otf/run_proc_0001.f90 b/tests/export_test/reference_export_otf/run_proc_0001.f90 index a6b5df4e..32b295fd 100644 --- a/tests/export_test/reference_export_otf/run_proc_0001.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0001.f90 @@ -1,8 +1,91 @@ module run_proc_0001 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0002.f90 b/tests/export_test/reference_export_otf/run_proc_0002.f90 index c8067419..28ebeaa4 100644 --- a/tests/export_test/reference_export_otf/run_proc_0002.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0002.f90 @@ -1,8 +1,91 @@ module run_proc_0002 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0003.f90 b/tests/export_test/reference_export_otf/run_proc_0003.f90 index 44466a84..dd212a12 100644 --- a/tests/export_test/reference_export_otf/run_proc_0003.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0003.f90 @@ -1,8 +1,91 @@ module run_proc_0003 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0004.f90 b/tests/export_test/reference_export_otf/run_proc_0004.f90 index 1315f72d..4b817f01 100644 --- a/tests/export_test/reference_export_otf/run_proc_0004.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0004.f90 @@ -1,8 +1,91 @@ module run_proc_0004 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0005.f90 b/tests/export_test/reference_export_otf/run_proc_0005.f90 index f5c6ecbe..b390136e 100644 --- a/tests/export_test/reference_export_otf/run_proc_0005.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0005.f90 @@ -1,8 +1,91 @@ module run_proc_0005 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0006.f90 b/tests/export_test/reference_export_otf/run_proc_0006.f90 index d9da7a75..e967872e 100644 --- a/tests/export_test/reference_export_otf/run_proc_0006.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0006.f90 @@ -1,8 +1,91 @@ module run_proc_0006 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0007.f90 b/tests/export_test/reference_export_otf/run_proc_0007.f90 index 37b2da56..56d0e2b4 100644 --- a/tests/export_test/reference_export_otf/run_proc_0007.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0007.f90 @@ -1,8 +1,91 @@ module run_proc_0007 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0008.f90 b/tests/export_test/reference_export_otf/run_proc_0008.f90 index bd55c406..a42b1292 100644 --- a/tests/export_test/reference_export_otf/run_proc_0008.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0008.f90 @@ -1,8 +1,91 @@ module run_proc_0008 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0009.f90 b/tests/export_test/reference_export_otf/run_proc_0009.f90 index f3cfb8cb..e9484cce 100644 --- a/tests/export_test/reference_export_otf/run_proc_0009.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0009.f90 @@ -1,8 +1,91 @@ module run_proc_0009 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0010.f90 b/tests/export_test/reference_export_otf/run_proc_0010.f90 index 9692bd71..a9b58e64 100644 --- a/tests/export_test/reference_export_otf/run_proc_0010.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0010.f90 @@ -1,8 +1,91 @@ module run_proc_0010 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0011.f90 b/tests/export_test/reference_export_otf/run_proc_0011.f90 index c9ac5b0a..aa5d3e8a 100644 --- a/tests/export_test/reference_export_otf/run_proc_0011.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0011.f90 @@ -1,8 +1,91 @@ module run_proc_0011 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0012.f90 b/tests/export_test/reference_export_otf/run_proc_0012.f90 index b7c5dd20..84515c3e 100644 --- a/tests/export_test/reference_export_otf/run_proc_0012.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0012.f90 @@ -1,8 +1,91 @@ module run_proc_0012 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0013.f90 b/tests/export_test/reference_export_otf/run_proc_0013.f90 index 3a925410..2681199d 100644 --- a/tests/export_test/reference_export_otf/run_proc_0013.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0013.f90 @@ -1,8 +1,91 @@ module run_proc_0013 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0014.f90 b/tests/export_test/reference_export_otf/run_proc_0014.f90 index 645e615e..f1b30109 100644 --- a/tests/export_test/reference_export_otf/run_proc_0014.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0014.f90 @@ -1,8 +1,91 @@ module run_proc_0014 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0015.f90 b/tests/export_test/reference_export_otf/run_proc_0015.f90 index 88b5308e..cd4acc09 100644 --- a/tests/export_test/reference_export_otf/run_proc_0015.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0015.f90 @@ -1,8 +1,91 @@ module run_proc_0015 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0016.f90 b/tests/export_test/reference_export_otf/run_proc_0016.f90 index 9209bfc8..0ffd4b4f 100644 --- a/tests/export_test/reference_export_otf/run_proc_0016.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0016.f90 @@ -1,8 +1,91 @@ module run_proc_0016 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0017.f90 b/tests/export_test/reference_export_otf/run_proc_0017.f90 index 98593401..a4b90e58 100644 --- a/tests/export_test/reference_export_otf/run_proc_0017.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0017.f90 @@ -1,8 +1,91 @@ module run_proc_0017 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0018.f90 b/tests/export_test/reference_export_otf/run_proc_0018.f90 index 54234f9e..25eea2ba 100644 --- a/tests/export_test/reference_export_otf/run_proc_0018.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0018.f90 @@ -1,8 +1,91 @@ module run_proc_0018 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0019.f90 b/tests/export_test/reference_export_otf/run_proc_0019.f90 index 6c55993c..845f636c 100644 --- a/tests/export_test/reference_export_otf/run_proc_0019.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0019.f90 @@ -1,8 +1,91 @@ module run_proc_0019 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0020.f90 b/tests/export_test/reference_export_otf/run_proc_0020.f90 index d3322ca3..ec4ffc1e 100644 --- a/tests/export_test/reference_export_otf/run_proc_0020.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0020.f90 @@ -1,8 +1,91 @@ module run_proc_0020 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0021.f90 b/tests/export_test/reference_export_otf/run_proc_0021.f90 index 15420af2..34aa5300 100644 --- a/tests/export_test/reference_export_otf/run_proc_0021.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0021.f90 @@ -1,8 +1,91 @@ module run_proc_0021 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0022.f90 b/tests/export_test/reference_export_otf/run_proc_0022.f90 index 9e60d562..791cd476 100644 --- a/tests/export_test/reference_export_otf/run_proc_0022.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0022.f90 @@ -1,8 +1,91 @@ module run_proc_0022 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0023.f90 b/tests/export_test/reference_export_otf/run_proc_0023.f90 index ee01dc7c..641f249b 100644 --- a/tests/export_test/reference_export_otf/run_proc_0023.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0023.f90 @@ -1,8 +1,91 @@ module run_proc_0023 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0024.f90 b/tests/export_test/reference_export_otf/run_proc_0024.f90 index cc05eb3e..749084d2 100644 --- a/tests/export_test/reference_export_otf/run_proc_0024.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0024.f90 @@ -1,8 +1,91 @@ module run_proc_0024 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0025.f90 b/tests/export_test/reference_export_otf/run_proc_0025.f90 index 1e8ed7b9..d624b8d7 100644 --- a/tests/export_test/reference_export_otf/run_proc_0025.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0025.f90 @@ -1,8 +1,91 @@ module run_proc_0025 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0026.f90 b/tests/export_test/reference_export_otf/run_proc_0026.f90 index a84bab74..034ddf53 100644 --- a/tests/export_test/reference_export_otf/run_proc_0026.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0026.f90 @@ -1,8 +1,91 @@ module run_proc_0026 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0027.f90 b/tests/export_test/reference_export_otf/run_proc_0027.f90 index f7e57bd1..aaecc4e1 100644 --- a/tests/export_test/reference_export_otf/run_proc_0027.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0027.f90 @@ -1,8 +1,91 @@ module run_proc_0027 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0028.f90 b/tests/export_test/reference_export_otf/run_proc_0028.f90 index 034ebd71..ed1a9504 100644 --- a/tests/export_test/reference_export_otf/run_proc_0028.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0028.f90 @@ -1,8 +1,91 @@ module run_proc_0028 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0029.f90 b/tests/export_test/reference_export_otf/run_proc_0029.f90 index 361a639d..eb72f24e 100644 --- a/tests/export_test/reference_export_otf/run_proc_0029.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0029.f90 @@ -1,8 +1,91 @@ module run_proc_0029 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0030.f90 b/tests/export_test/reference_export_otf/run_proc_0030.f90 index bf656ce1..133ead51 100644 --- a/tests/export_test/reference_export_otf/run_proc_0030.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0030.f90 @@ -1,8 +1,91 @@ module run_proc_0030 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0031.f90 b/tests/export_test/reference_export_otf/run_proc_0031.f90 index 16136330..4293c9b6 100644 --- a/tests/export_test/reference_export_otf/run_proc_0031.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0031.f90 @@ -1,8 +1,91 @@ module run_proc_0031 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0032.f90 b/tests/export_test/reference_export_otf/run_proc_0032.f90 index 9d616a9d..ab60eb38 100644 --- a/tests/export_test/reference_export_otf/run_proc_0032.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0032.f90 @@ -1,8 +1,91 @@ module run_proc_0032 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0033.f90 b/tests/export_test/reference_export_otf/run_proc_0033.f90 index 8df825a3..fbe16db6 100644 --- a/tests/export_test/reference_export_otf/run_proc_0033.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0033.f90 @@ -1,8 +1,91 @@ module run_proc_0033 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0034.f90 b/tests/export_test/reference_export_otf/run_proc_0034.f90 index a0ed7bbf..99e81025 100644 --- a/tests/export_test/reference_export_otf/run_proc_0034.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0034.f90 @@ -1,8 +1,91 @@ module run_proc_0034 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0035.f90 b/tests/export_test/reference_export_otf/run_proc_0035.f90 index 60bf9be3..313a9ef3 100644 --- a/tests/export_test/reference_export_otf/run_proc_0035.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0035.f90 @@ -1,8 +1,91 @@ module run_proc_0035 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/export_test/reference_export_otf/run_proc_0036.f90 b/tests/export_test/reference_export_otf/run_proc_0036.f90 index f423a456..330f2d52 100644 --- a/tests/export_test/reference_export_otf/run_proc_0036.f90 +++ b/tests/export_test/reference_export_otf/run_proc_0036.f90 @@ -1,8 +1,91 @@ module run_proc_0036 use kind_values -use lattice -use proclist_pars +use lattice, only: & + ruo2_bridge, & + ruo2_cus, & + can_do, & + del_proc, & + add_proc, & + replace_species, & + get_species +use proclist_constants, only: & + co, & + empty, & + oxygen, & + co_adsorption_bridge, & + co_adsorption_cus, & + co_desorption_bridge, & + co_desorption_cus, & + co_diffusion_bridge_bridge_down, & + co_diffusion_bridge_bridge_up, & + co_diffusion_bridge_cus_left, & + co_diffusion_bridge_cus_right, & + co_diffusion_cus_bridge_left, & + co_diffusion_cus_bridge_right, & + co_diffusion_cus_cus_down, & + co_diffusion_cus_cus_up, & + oxygen_adsorption_bridge_bridge, & + oxygen_adsorption_bridge_cus_le0000, & + oxygen_adsorption_bridge_cus_ri0000, & + oxygen_adsorption_cus_cus, & + oxygen_desorption_bridge_bridge, & + oxygen_desorption_bridge_cus_le0000, & + oxygen_desorption_bridge_cus_ri0000, & + oxygen_desorption_cus_cus, & + oxygen_diffusion_bridge_bridge_0000, & + oxygen_diffusion_bridge_bridge_0001, & + oxygen_diffusion_bridge_cus_lef0000, & + oxygen_diffusion_bridge_cus_rig0000, & + oxygen_diffusion_cus_bridge_lef0000, & + oxygen_diffusion_cus_bridge_rig0000, & + oxygen_diffusion_cus_cus_down, & + oxygen_diffusion_cus_cus_up, & + reaction_oxygen_bridge_co_bridg0000, & + reaction_oxygen_bridge_co_bridg0001, & + reaction_oxygen_bridge_co_cus_l0000, & + reaction_oxygen_bridge_co_cus_r0000, & + reaction_oxygen_cus_co_bridge_l0000, & + reaction_oxygen_cus_co_bridge_r0000, & + reaction_oxygen_cus_co_cus_down, & + reaction_oxygen_cus_co_cus_up +use proclist_pars, only: & + gr_co_adsorption_bridge, & + gr_co_adsorption_cus, & + gr_co_desorption_bridge, & + gr_co_desorption_cus, & + gr_co_diffusion_bridge_bridge_down, & + gr_co_diffusion_bridge_bridge_up, & + gr_co_diffusion_bridge_cus_left, & + gr_co_diffusion_bridge_cus_right, & + gr_co_diffusion_cus_bridge_left, & + gr_co_diffusion_cus_bridge_right, & + gr_co_diffusion_cus_cus_down, & + gr_co_diffusion_cus_cus_up, & + gr_oxygen_adsorption_bridge_bridge, & + gr_oxygen_adsorption_bridge_cus_le0000, & + gr_oxygen_adsorption_bridge_cus_ri0000, & + gr_oxygen_adsorption_cus_cus, & + gr_oxygen_desorption_bridge_bridge, & + gr_oxygen_desorption_bridge_cus_le0000, & + gr_oxygen_desorption_bridge_cus_ri0000, & + gr_oxygen_desorption_cus_cus, & + gr_oxygen_diffusion_bridge_bridge_0000, & + gr_oxygen_diffusion_bridge_bridge_0001, & + gr_oxygen_diffusion_bridge_cus_lef0000, & + gr_oxygen_diffusion_bridge_cus_rig0000, & + gr_oxygen_diffusion_cus_bridge_lef0000, & + gr_oxygen_diffusion_cus_bridge_rig0000, & + gr_oxygen_diffusion_cus_cus_down, & + gr_oxygen_diffusion_cus_cus_up, & + gr_reaction_oxygen_bridge_co_bridg0000, & + gr_reaction_oxygen_bridge_co_bridg0001, & + gr_reaction_oxygen_bridge_co_cus_l0000, & + gr_reaction_oxygen_bridge_co_cus_r0000, & + gr_reaction_oxygen_cus_co_bridge_l0000, & + gr_reaction_oxygen_cus_co_bridge_r0000, & + gr_reaction_oxygen_cus_co_cus_down, & + gr_reaction_oxygen_cus_co_cus_up implicit none contains diff --git a/tests/test_run/_tmp_export_otf/ref_procs_sites_otf.log b/tests/test_run/_tmp_export_otf/ref_procs_sites_otf.log new file mode 100644 index 00000000..0b815b17 --- /dev/null +++ b/tests/test_run/_tmp_export_otf/ref_procs_sites_otf.log @@ -0,0 +1,10000 @@ +[(5, 189), + (5, 145), + (7, 219), + (5, 193), + (7, 157), + (5, 325), + (7, 335), + (5, 351), + (5, 52), + (7, 209), + (5, 55), + (7, 259), + (7, 85), + (5, 337), + (5, 357), + (7, 11), + (5, 299), + (5, 162), + (7, 370), + (7, 28), + (7, 305), + (5, 372), + (7, 272), + (7, 397), + (7, 343), + (5, 172), + (5, 316), + (7, 317), + (5, 366), + (5, 320), + (5, 243), + (7, 286), + (7, 97), + (5, 218), + (7, 148), + (7, 81), + (7, 215), + (7, 27), + (7, 36), + (7, 64), + (7, 240), + (7, 237), + (5, 202), + (5, 9), + (7, 374), + (5, 296), + (7, 134), + (5, 393), + (7, 213), + (7, 137), + (7, 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test_build_model(): os.chdir(os.path.abspath(os.path.dirname(__file__))) - for backend in ["local_smart", "lat_int"]: + for backend in ["local_smart", "lat_int", "otf"]: export_dir = "_tmp_export_{backend}".format(**locals()) print(os.getcwd()) @@ -54,8 +54,14 @@ def test_build_model(): ## Regenerate reference trajectory files -- comment out ## Comment to make test useful - # with open('ref_procs_sites_{backend}.log'.format(**locals()), 'w') as outfile: - # outfile.write(pprint.pformat(procs_sites)) + # Generate reference file for new backends + if backend == "otf" and not os.path.exists( + "ref_procs_sites_{backend}.log".format(**locals()) + ): + with open( + "ref_procs_sites_{backend}.log".format(**locals()), "w" + ) as outfile: + outfile.write(pprint.pformat(procs_sites)) with open("test_procs_sites_{backend}.log".format(**locals()), "w") as outfile: outfile.write(pprint.pformat(procs_sites))