LCPQ
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resultsFile
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Merge branch 'master' into master

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Anthony Scemama 2017-04-21 21:34:11 +02:00 committed by GitHub
parent f226634611 96935e5fe7
commit f1c1053ac6
2 changed files with 11 additions and 12 deletions
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resultsFile/Modules/gamessFile.py
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@ -38,7 +38,7 @@ gamessFile_defined_vars = [ "date", "version", "machine", "memory", "disk",\
"Ne_pot_energies", "pot_energies", \
"kin_energies", "virials", "point_group", "num_elec", \
"charge", "multiplicity","nuclear_energy","dipole","geometry",\
"basis","mo_sets","mo_types","mulliken_mo","mulliken_ao",\
"basis","pseudo", "mo_sets","mo_types","mulliken_mo","mulliken_ao",\
"mulliken_atom","lowdin_ao", "mulliken_atom","lowdin_atom",\
"two_e_int_ao", "determinants", "num_alpha", "num_beta",\
"closed_mos", "active_mos", "virtual_mos", \
@ -1348,7 +1348,6 @@ class gamessFile(resultsFile):
pass
return self._num_states
def get_pseudo(self):
if self._pseudo is None:
try: