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quantum_package
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Fix broken QMCPack pseudo (#219) 

* Fixes #211

* Removed debug print

* Revert input coordinates

* Fix MPI

* Multi-state modification for qmcpack

* Removed useless file

* Fixed QMCPack pseudo bug
This commit is contained in:
Anthony Scemama 2017-12-19 23:14:03 +01:00 committed by GitHub
parent e70bf2800e
commit 279c225f3b
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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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@ -26,7 +26,7 @@ if do_pseudo:
l_element_raw = data_raw.split("\n")
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:
print "do_pseudo False"