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[pyband] delete extra comments
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QijingZheng committed Sep 22, 2020
1 parent 2ef68ba commit 064dac1
Showing 1 changed file with 5 additions and 12 deletions.
17 changes: 5 additions & 12 deletions pyband
Original file line number Diff line number Diff line change
Expand Up @@ -604,8 +604,8 @@ if __name__ == '__main__':

if opts.occ:

Nocc = len(opts.occ)
occM = ['o' for ii in range(Nocc)]
Nocc = len(opts.occ)
occM = ['o' for ii in range(Nocc)]
occMc = ['r' for ii in range(Nocc)]
occMs = [20 for ii in range(Nocc)]
for ii in range(min(len(opts.occMarker), Nocc)):
Expand All @@ -614,9 +614,9 @@ if __name__ == '__main__':
occMs[ii] = opts.occMarkerSize[ii]
for ii in range(min(len(opts.occMarkerColor), Nocc)):
occMc[ii] = opts.occMarkerColor[ii]
opts.occMarker = occM
opts.occMarker = occM
opts.occMarkerColor = occMc
opts.occMarkerSize = occMs
opts.occMarkerSize = occMs

whts = []
iterater = 0
Expand All @@ -629,15 +629,13 @@ if __name__ == '__main__':
occAtom = parseList(occ)

if opts.spdProjections: # and (Nocc == 1):
# CCX 2020-02-01 check len(occ) == len(spd)?
if len(opts.spdProjections) != len(opts.occ):
print("number of projections does not match number of occupations")
sys.exit(0)

# set angall to corresponding item of spdProjections
angularM = parseSpdProjection(opts.spdProjections[iterater])

#angularM = [int(x) for x in opts.spdProjections.split()]
# print angularM
whts.append(WeightFromPro(opts.procar, whichAtom=occAtom,
spd=angularM, lsorbit=opts.lsorbit,
spin=opts.spin))
Expand All @@ -648,11 +646,6 @@ if __name__ == '__main__':
iterater += 1

else:
# if opts.spdProjections:
# angularM = [int(x) for x in opts.spdProjections.split()]
# whts = WeightFromPro(opts.procar, whichAtom=None, spd=angularM)
# else:
# whts = None
whts = None

kpath, bands, efermi, kpt_bounds = get_bandInfo(opts.filename)
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