Beispiel #1
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 def convert_from_(self, mf):
     '''Convert given mean-field object to RHF'''
     addons.convert_to_rhf(mf, self)
     return self
Beispiel #2
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 def to_rhf(self, mf):
     '''Convert the input mean-field object to a RHF/ROHF/RKS/ROKS object'''
     return addons.convert_to_rhf(mf)
Beispiel #3
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Datei: hf.py Projekt: sunqm/pyscf 
 def convert_from_(self, mf):
     '''Convert given mean-field object to RHF'''
     addons.convert_to_rhf(mf, self)
     return self
Beispiel #4
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Datei: hf.py Projekt: sunqm/pyscf 
 def to_rhf(self, mf):
     '''Convert the input mean-field object to a RHF/ROHF/RKS/ROKS object'''
     return addons.convert_to_rhf(mf)
Beispiel #5
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 def convert_from_(self, mf):
     '''Convert given mean-field object to RHF/ROHF'''
     from pyscf.pbc.scf import addons
     addons.convert_to_rhf(mf, self)
     return self
Beispiel #6
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 def convert_from_(self, mf):
     '''Convert given mean-field object to RHF/ROHF'''
     from pyscf.pbc.scf import addons
     addons.convert_to_rhf(mf, self)
     return self