LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
Code Issues Releases Wiki Activity

Update qp_convert_qmcpack_to_ezfio.py

Browse Source
This commit is contained in:
Thomas Applencourt 2016-11-04 16:00:47 -05:00 committed by GitHub
parent 25b360a409
commit f0c30cc7f2
1 changed files with 0 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
plugins/qmcpack/qp_convert_qmcpack_to_ezfio.py
View File

@ -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])