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kpt loop range in nexus script

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This commit is contained in:
Kevin Gasperich 2020-03-31 14:32:26 -05:00
parent 1efe61efd0
commit ee40465648
1 changed files with 1 additions and 1 deletions
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2
src/utils_complex/generate_pyscf_twists.py
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@ -81,7 +81,7 @@ $system
$twistinfo $twistinfo
pwd_top = os.path.dirname(os.path.realpath(__file__)) pwd_top = os.path.dirname(os.path.realpath(__file__))
for i in range(2,3): for i in range(len(allkpts)):
jobdir=pwd_top + '/twist-{:02d}/'.format(i) jobdir=pwd_top + '/twist-{:02d}/'.format(i)
if not restart: if not restart:
os.mkdir(jobdir) os.mkdir(jobdir)