From 28874bddf21bb74de81055db8882b253adddc295 Mon Sep 17 00:00:00 2001 From: "Michael F. Herbst" Date: Thu, 21 May 2020 09:09:28 +0200 Subject: [PATCH] Fix small inconsistencies in ExcitedStates --- adcc/ExcitedStates.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/adcc/ExcitedStates.py b/adcc/ExcitedStates.py index f7f0b65d..e12098c4 100644 --- a/adcc/ExcitedStates.py +++ b/adcc/ExcitedStates.py @@ -348,8 +348,8 @@ def plot_spectrum(self, broadening="lorentzian", xaxis="eV", ["eV", "au", "nm", "cm-1"] yaxis : str Quantity to plot on the y-Axis. Options are "cross_section", - "osc_strength", "dipole" (plots norm of transition dipole), - "rotational_strength" (ECD spectrum with rotational strength) + "oscillator_strength", "dipole" (plots norm of transition dipole), + "rotatory_strengths" (ECD spectrum with rotational strength), width : float, optional Gaussian broadening standard deviation or Lorentzian broadening gamma parameter. The value should be given in atomic units @@ -379,7 +379,7 @@ def plot_spectrum(self, broadening="lorentzian", xaxis="eV", else: raise ValueError("Unknown xaxis specifier: {}".format(xaxis)) - if yaxis in ["osc", "osc_strength", "oscillator_strength", "f"]: + if yaxis in ["osc", "oscillator_strength", "f"]: absorption = self.oscillator_strengths ylabel = "Oscillator strengths (au)" elif yaxis in ["dipole", "dipole_norm", "μ"]: