def GHF(mol, *args): __doc__ = '''Non-relativistic generalized Hartree-Fock class.\n ''' + ghf.GHF.__doc__ if not mol.symmetry or mol.groupname == 'C1': return ghf.GHF(mol, *args) else: return ghf_symm.GHF(mol, *args)
def GHF(mol, *args): if mol.nelectron == 1: if not mol.symmetry or mol.groupname == 'C1': return ghf.HF1e(mol) else: return ghf_symm.HF1e(mol, *args) elif not mol.symmetry or mol.groupname == 'C1': return ghf.GHF(mol, *args) else: return ghf_symm.GHF(mol, *args)
def GHF(mol, *args): if not mol.symmetry or mol.groupname == 'C1': return ghf.GHF(mol, *args) else: return ghf_symm.GHF(mol, *args)