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Merge branch 'master' of github.com:scemama/resultsFile
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commit
7cd3a977b6
@ -38,7 +38,7 @@ gamessFile_defined_vars = [ "date", "version", "machine", "memory", "disk",\
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"Ne_pot_energies", "pot_energies", \
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"Ne_pot_energies", "pot_energies", \
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"kin_energies", "virials", "point_group", "num_elec", \
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"kin_energies", "virials", "point_group", "num_elec", \
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"charge", "multiplicity","nuclear_energy","dipole","geometry",\
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"charge", "multiplicity","nuclear_energy","dipole","geometry",\
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"basis","mo_sets","mo_types","mulliken_mo","mulliken_ao",\
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"basis","pseudo", "mo_sets","mo_types","mulliken_mo","mulliken_ao",\
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"mulliken_atom","lowdin_ao", "mulliken_atom","lowdin_atom",\
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"mulliken_atom","lowdin_ao", "mulliken_atom","lowdin_atom",\
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"two_e_int_ao", "determinants", "num_alpha", "num_beta",\
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"two_e_int_ao", "determinants", "num_alpha", "num_beta",\
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"closed_mos", "active_mos", "virtual_mos", \
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"closed_mos", "active_mos", "virtual_mos", \
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@ -1348,7 +1348,6 @@ class gamessFile(resultsFile):
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pass
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pass
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return self._num_states
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return self._num_states
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def get_pseudo(self):
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def get_pseudo(self):
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if self._pseudo is None:
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if self._pseudo is None:
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try:
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try:
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