def ddpcm_for_post_scf(method, solvent_obj=None, dm=None): if solvent_obj is None: if isinstance(getattr(method._scf, 'with_solvent', None), DDPCM): solvent_obj = method._scf.with_solvent else: solvent_obj = DDPCM(method.mol) return _attach_solvent._for_post_scf(method, solvent_obj, dm)
def pe_for_post_scf(method, solvent_obj, dm=None): if not isinstance(solvent_obj, PolEmbed): solvent_obj = PolEmbed(method.mol, solvent_obj) return _attach_solvent._for_post_scf(method, solvent_obj, dm)