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Edit comments in trpes.py
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src/libra_py/trpes.py

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@@ -12,7 +12,7 @@
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"""
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.. module:: trpes
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:platform: Unix, Windows
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:synopsis: this module implements calculations of time-resolved NAMD spectra (potential energy surface)
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:synopsis: this module implements calculations of time-resolved NAMD spectra (photoelectronic spectra)
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.. moduleauthor:: Qingxin Zhang, Alexey V. Akimov
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@@ -65,7 +65,7 @@ def compute_trpes(_params):
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tuple:
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- np.array(nsteps): time grid [units: no units]
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- np.array(n_e_grid_pts): energy grid [units: eV]
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- np.array(nsteps, n_e_grid_pts): TRPES - time-resolved potential energy surface
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- np.array(nsteps, n_e_grid_pts): TRPES - time-resolved photoelectron spectrum
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"""
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@@ -203,7 +203,7 @@ def plot_trpes(t_grid, e_grid, trpes, _plt_params):
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Args:
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t_grid ( np.array(nsteps)) : time grid [units: no units]
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e_grid ( np.array(n_e_grid_pts) ): energy grid [units: eV]
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trpes ( np.array(nsteps, n_e_grid_pts)) : TRPES - time-resolved potential energy surface
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trpes ( np.array(nsteps, n_e_grid_pts)) : TRPES - time-resolved photoelectron spectrum
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plt_params (dict): control parameters. Can contain keywords:
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- fig_size ( [2-ints list]): aspect ratio and size of the figure [ default: [8,3] ]

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