LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 12:23:48 +01:00
Code Issues Releases Wiki Activity

Fixed QMCPack pseudo bug

Browse Source
This commit is contained in:
Anthony Scemama 2017-12-19 22:19:29 +01:00
parent 65dbaf64c2
commit e8df53857a
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
plugins/QMC/qp_convert_qmcpack_to_ezfio.py
View File

@ -26,7 +26,7 @@ if do_pseudo:
l_element_raw = data_raw.split("\n") l_element_raw = data_raw.split("\n")
l_element = [element_raw.split() for element_raw in l_element_raw] l_element = [element_raw.split() for element_raw in l_element_raw]
d_z = dict((abr, z) for (z, abr, ele) in l_element) d_z = dict((abr, z) for (z, abr, ele, _) in filter(lambda x: x != [], l_element) )
else: else:
print "do_pseudo False" print "do_pseudo False"