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PDAW and pulse plotting #62

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Merged
JanosJiri merged 1 commit into from
Dec 2, 2025
Merged

PDAW and pulse plotting #62

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19 changes: 9 additions & 10 deletions src/promdens/promdens.py
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Original file line number Diff line number Diff line change
Expand Up @@ -669,7 +669,7 @@ def plot_field(ics: InitialConditions) -> None:
axs[0].set_xlim(np.min(t_fs), np.max(t_fs))
axs[0].set_ylim(np.min(-ics.field_envelope)*1.2, np.max(ics.field_envelope)*1.2)
axs[0].set_xlabel("Time (fs)")
axs[0].set_ylabel(r"$\vec{E}$")
axs[0].set_ylabel(r"Electric field (arb. units)")
axs[0].set_title("Laser pulse field")
axs[0].legend(frameon=True, labelspacing=0.1, edgecolor='white', loc='upper left')
axs[0].minorticks_on()
Expand All @@ -686,8 +686,8 @@ def plot_field(ics: InitialConditions) -> None:
axs[1].fill_between(energy_ev, normalized_cross_section*0, normalized_cross_section, color=colors[1], alpha=0.2)

# Plot pulse spectrum
axs[1].plot(ics.field_ft_omega/ics.evtoau, ics.field_ft, color=colors[0], label='Pulse spectrum')
axs[1].fill_between(ics.field_ft_omega/ics.evtoau, ics.field_ft*0, ics.field_ft, color=colors[0], alpha=0.2)
axs[1].plot(ics.field_ft_omega/ics.evtoau, ics.field_ft**2, color=colors[0], label='Pulse spectral intensity')
axs[1].fill_between(ics.field_ft_omega/ics.evtoau, ics.field_ft*0, ics.field_ft**2, color=colors[0], alpha=0.2)
axs[1].set_xlim(np.min(energy_ev), np.max(energy_ev))
axs[1].set_ylim(0, 1.2)
axs[1].set_xlabel(r"$E$ (eV)")
Expand Down Expand Up @@ -803,13 +803,14 @@ def plot_pdaw(ics: InitialConditions) -> None:
if ics.nstates > 1:
colors.append(plt.cm.viridis(0.2)) # color for the total spectrum
fig, axs = plt.subplots(1, 1, figsize=(4, 3.5))
fig.suptitle("Selected initial conditions and their weights")
fig.suptitle("Selected ICs and their PDAW weights")
plt.get_current_fig_manager().set_window_title('PDAW weights') # modify the window name from Figure x

axs.plot(ics.spectrum[0]/ics.evtoau, ics.spectrum[-1]/np.max(ics.spectrum[-1]), color=colors[-1],
label='Absorption spectrum')
axs.fill_between(ics.spectrum[0]/ics.evtoau, ics.spectrum[-1]*0, ics.spectrum[-1]/np.max(ics.spectrum[-1]),
color=colors[-1], alpha=0.2)
axs.plot(ics.field_ft_omega/ics.evtoau, ics.field_ft**2, color='black', alpha=0.5, label='Pulse spectral intensity')

maxw = np.max(ics.weights)*1.1
if ics.nstates > 1:
Expand All @@ -820,7 +821,7 @@ def plot_pdaw(ics: InitialConditions) -> None:
axs.fill_between(ics.spectrum[0]/ics.evtoau, 0, ics.spectrum[state + 1]/np.max(ics.spectrum[-1]),
color=colors[state], alpha=0.2)
# weights of initial conditions plotted as sticks with points
axs.scatter(ics.de[state, :]/ics.evtoau, ics.weights[state, :]/maxw, color=colors[state], s=5)
axs.scatter(ics.de[state, :]/ics.evtoau, ics.weights[state, :]/maxw, color=colors[state], s=5, label=f'PDAW weights' if state == 0 else None, zorder=2)
for index in range(ics.nsamples):
axs.plot([ics.de[state, index]/ics.evtoau]*2, [0, ics.weights[state, index]/maxw], color=colors[state])
else:
Expand All @@ -830,17 +831,15 @@ def plot_pdaw(ics: InitialConditions) -> None:
axs.fill_between(ics.spectrum[0]/ics.evtoau, 0, ics.spectrum[0 + 1]/np.max(ics.spectrum[-1]), color=colors[0],
alpha=0.2)
# weights of initial conditions plotted as sticks with points
axs.scatter(ics.de[0, :]/ics.evtoau, ics.weights[0, :]/maxw, color=colors[0], s=5)
axs.scatter(ics.de[0, :]/ics.evtoau, ics.weights[0, :]/maxw, color=colors[0], s=5, label='PDAW weights')
for index in range(ics.nsamples):
axs.plot([ics.de[0, index]/ics.evtoau]*2, [0, ics.weights[0, index]/maxw], color=colors[0])

axs.plot(ics.field_ft_omega/ics.evtoau, ics.field_ft**2, color='black', alpha=0.5, label='Pulse intensity spectrum')
axs.set_xlim(np.min(ics.spectrum[0]/ics.evtoau), np.max(ics.spectrum[0]/ics.evtoau))
axs.set_ylim(0, 1.3)
axs.set_xlabel(r"$E$ (eV)")
axs.set_ylabel(r"$\epsilon$")
axs.set_title("Pulse spectrum")
axs.legend(frameon=True, labelspacing=0.1, edgecolor='white', loc='upper left')
axs.set_ylabel(r"Normalized spectra and weights")
axs.legend(frameon=False, labelspacing=0, edgecolor='white', loc='upper left')
axs.minorticks_on()
axs.tick_params('both', direction='in', which='both', top=True, right=True)

Expand Down