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Update qp_convert_qmcpack_to_ezfio.py

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Thomas Applencourt 2017-07-14 22:52:27 -05:00 committed by GitHub
parent 68e9657a7a
commit a8edfa0490
1 changed files with 1 additions and 1 deletions
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plugins/QMC/qp_convert_qmcpack_to_ezfio.py
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@ -350,7 +350,7 @@ psi_coef = psi_coef[state]
encode = 8*bit_kind
decode = lambda det: ''.join("{0:b}".format(i)[::-1].ljust(encode,'0') for i in det)
decode = lambda det: ''.join("{0:b}".format(i)[::-1].ljust(encode,'0') for i in det)[:mo_num]
for coef, (det_a, det_b) in zip(psi_coef, psi_det):
print coef