11#!python
22
3-
43import numpy as np
54import matplotlib .pyplot as plt
65import sys , os
@@ -53,9 +52,20 @@ def main():
5352 assert os .path .exists (f ), 'Error, file {} not found.' .format (f )
5453 assert os .path .exists (m ), 'Error, file {} not found.' .format (m )
5554
55+ print ("Reading the input..." )
56+
5657 # Load all the data
57- freqs_data = np .concatenate ([f for f in freqs_files ])
58- minim_data = np .concatenate ([f for f in minim_files ])
58+ freqs_data = np .concatenate ([np .loadtxt (f ) for f in freqs_files ])
59+ minim_data = np .concatenate ([np .loadtxt (f ) for f in minim_files ])
60+
61+ print ("Plotting..." )
62+
63+ # Insert the x axis in the plotting data
64+ xsteps = np .arange (minim_data .shape [0 ])
65+ new_data = np .zeros (( len (xsteps ), 8 ), dtype = np .double )
66+ new_data [:,0 ] = xsteps
67+ new_data [:, 1 :] = minim_data
68+ minim_data = new_data
5969
6070 fig_data , axarr = plt .subplots (nrows = 2 , ncols = 2 , sharex = True , dpi = DPI )
6171
@@ -66,10 +76,10 @@ def main():
6676 axarr [0 ,0 ].set_ylabel ("Free energy / unit cell [meV]" , fontsize = LBL_FS )
6777
6878
69- axarr [1 , 0 ].fill_between (minim_data [:,0 ], minim_data [:,3 ] - minim_data [:, 4 ]* .5 ,
79+ axarr [0 , 1 ].fill_between (minim_data [:,0 ], minim_data [:,3 ] - minim_data [:, 4 ]* .5 ,
7080 minim_data [:, 3 ] + minim_data [:, 4 ] * .5 , color = "aquamarine" )
71- axarr [1 , 0 ].plot (minim_data [:,0 ], minim_data [:,3 ], color = "k" )
72- axarr [1 , 0 ].set_ylabel ("FC gradient" , fontsize = LBL_FS )
81+ axarr [0 , 1 ].plot (minim_data [:,0 ], minim_data [:,3 ], color = "k" )
82+ axarr [0 , 1 ].set_ylabel ("FC gradient" , fontsize = LBL_FS )
7383
7484 axarr [1 ,1 ].fill_between (minim_data [:,0 ], minim_data [:,5 ] - minim_data [:, 6 ]* .5 ,
7585 minim_data [:, 5 ] + minim_data [:, 6 ] * .5 , color = "aquamarine" )
@@ -78,9 +88,9 @@ def main():
7888 axarr [1 ,1 ].set_xlabel ("Good minimization steps" , fontsize = LBL_FS )
7989
8090
81- axarr [0 , 1 ].plot (minim_data [:,0 ], minim_data [:,7 ], color = "k" )
82- axarr [0 , 1 ].set_ylabel ("Effective sample size" , fontsize = LBL_FS )
83- axarr [0 , 1 ].set_xlabel ("Good minimization steps" , fontsize = LBL_FS )
91+ axarr [1 , 0 ].plot (minim_data [:,0 ], minim_data [:,7 ], color = "k" )
92+ axarr [1 , 0 ].set_ylabel ("Effective sample size" , fontsize = LBL_FS )
93+ axarr [1 , 0 ].set_xlabel ("Good minimization steps" , fontsize = LBL_FS )
8494 fig_data .tight_layout ()
8595
8696
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