QPMS
/
qpms
1
0
Fork 0
Code Issues Pull Requests Projects Releases Wiki Activity

universal dispersion script fixes 

Former-commit-id: 2ee0815d5e0da2b04f66106581659926b0cb19b3
This commit is contained in:
Marek Nečada 2017-02-16 00:31:25 +02:00
parent 706701f9ce
commit d54ff96aaf
1 changed files with 6 additions and 10 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

16
misc/dispersion-SVD.py Normal file → Executable file
View File

@ -1,9 +1,8 @@
#!/usr/bin/env python3 #!/usr/bin/env python3
import argparse import argparse, re, random
from scipy.constants import hbar, e as eV, pi, c from scipy.constants import hbar, e as eV, pi, c
import random
def make_action_sharedlist(opname, listname): def make_action_sharedlist(opname, listname):
class opAction(argparse.Action): class opAction(argparse.Action):
@ -90,9 +89,7 @@ begtime=time.time()
import qpms import qpms
import numpy as np import numpy as np
import os, sys import os, sys, warnings, math
import warnings
import math
from matplotlib import pyplot as plt from matplotlib import pyplot as plt
from matplotlib.backends.backend_pdf import PdfPages from matplotlib.backends.backend_pdf import PdfPages
from scipy import interpolate from scipy import interpolate
@ -272,7 +269,7 @@ omegalist = list()
filecount = 0 filecount = 0
for trfile in os.scandir(translations_dir): for trfile in os.scandir(translations_dir):
filecount += 1 filecount += 1
if (skipfreq and (0 == filecount % skipfreq)): if (skipfreq and filecount % skipfreq):
continue continue
try: try:
npz = np.load(trfile.path, mmap_mode='r') npz = np.load(trfile.path, mmap_mode='r')
@ -302,9 +299,9 @@ for trfile in os.scandir(translations_dir):
u2d_translations = tdic['u2d_tr']*hexside*s3 u2d_translations = tdic['u2d_tr']*hexside*s3
d2u_translations = tdic['d2u_tr']*hexside*s3 d2u_translations = tdic['d2u_tr']*hexside*s3
if gaussianSigma: if gaussianSigma:
unitcell_envelope = np.exp(-np.sum(unitcell_translations**2,axis=-1)/(2*gaussianSigma**2)) unitcell_envelope = np.exp(-np.sum(tdic['self_tr']**2,axis=-1)/(2*gaussianSigma**2))
u2d_envelope = np.exp(-np.sum(u2d_translations**2,axis=-1)/(2*gaussianSigma**2)) u2d_envelope = np.exp(-np.sum(tdic['u2d_tr']**2,axis=-1)/(2*gaussianSigma**2))
d2u_envelope = np.exp(-np.sum(d2u_translations**2,axis=-1)/(2*gaussianSigma**2)) d2u_envelope = np.exp(-np.sum(tdic['d2u_tr']**2,axis=-1)/(2*gaussianSigma**2))
TMatrices_om = TMatrices_interp(omega) TMatrices_om = TMatrices_interp(omega)
@ -385,7 +382,6 @@ klist = np.concatenate((k0Mlist,kMK1list,kK10list,k0K2list,kK2Mlist), axis=0)
# In[ ]: # In[ ]:
import matplotlib.pyplot as plt
from matplotlib.path import Path from matplotlib.path import Path
import matplotlib.patches as patches import matplotlib.patches as patches
f, ax = plt.subplots(1, figsize=(20,15)) f, ax = plt.subplots(1, figsize=(20,15))