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Update qp_convert_qmcpack_to_ezfio.py

This commit is contained in:
Thomas Applencourt 2016-11-04 16:00:47 -05:00 committed by GitHub
parent 25b360a409
commit f0c30cc7f2

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@ -364,10 +364,6 @@ for line_raw in det_without_header.split("\n"):
try:
float(line)
except ValueError:
print line_raw.strip(), len(line_raw.strip())
print l_order_mo, len(l_order_mo)
line_order = [line_raw[i] for i in l_order_mo]
line= "".join([d_rep[x] if x in d_rep else x for x in line_raw])