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12 changes: 6 additions & 6 deletions AtomicContributions/ContributionsOfAtomsToModes.py
Original file line number Diff line number Diff line change
Expand Up @@ -245,7 +245,7 @@ def plot(self, atomgroups, colorofgroups, legendforgroups, freqstart=[], freqend
labelsforfreq (list of str): list of labels (str) for each frequency
filename (str): filename for the plot
transmodes (boolean): if transmode is true than translational modes are shown
massincluded (boolean): if false, uses eigenvector divided by sqrt(mass of the atom) for the calculation instead of the eigenvector
massincluded (boolean): uses eigenvector divided by sqrt(mass of the atom) for the calculation instead of the eigenvector
"""

p = {}
Expand Down Expand Up @@ -301,12 +301,12 @@ def _plot(self, atomgroups, colorofgroups, legendforgroups, freqstart=[], freqen
freqlist (list of int): list of frequencies that will be plotted; this freqlist starts at 0
labelsforfreq (list of str): list of labels (str) for each frequency
filename (str): filename for the plot
massincluded (boolean): if false, uses eigenvector divided by sqrt(mass of the atom) for the calculation instead of the eigenvector
massincluded (boolean): uses eigenvector divided by sqrt(mass of the atom) for the calculation instead of the eigenvector
"""
# setting of some parameters in matplotlib: http://matplotlib.org/users/customizing.html
mpl.rcParams["savefig.directory"] = os.chdir(os.getcwd())
mpl.rcParams["savefig.format"] = 'eps'

save_directory = os.getcwd()


fig, ax1 = plt.subplots()
p = {}
summe = {}
Expand Down Expand Up @@ -400,7 +400,7 @@ def plot_irred(self, atomgroups, colorofgroups, legendforgroups, transmodes=Fals
transmodes (boolean): translational modes are included if true
irreps (list of str): list that includes the irreducible modes that are plotted
filename (str): filename for the plot
massincluded (boolean): if false, uses eigenvector divided by sqrt(mass of the atom) for the calculation instead of the eigenvector
massincluded (boolean): uses eigenvector divided by sqrt(mass of the atom) for the calculation instead of the eigenvector
"""

freqlist = []
Expand Down