Source code for vayesta.core.scmf

from vayesta.core.scmf.pdmet import PDMET_RHF
from vayesta.core.scmf.pdmet import PDMET_UHF
from vayesta.core.scmf.brueckner import Brueckner_RHF
from vayesta.core.scmf.brueckner import Brueckner_UHF


[docs]def PDMET(emb, *args, **kwargs):
    if emb.is_rhf:
        return PDMET_RHF(emb, *args, **kwargs)
    return PDMET_UHF(emb, *args, **kwargs)


[docs]def Brueckner(emb, *args, **kwargs):
    if emb.is_rhf:
        return Brueckner_RHF(emb, *args, **kwargs)
    return Brueckner_UHF(emb, *args, **kwargs)

try:
    from vayesta.core.scmf.qpewdmet import QPEWDMET_RHF
[docs]    def QPEWDMET(emb, *args, **kwargs):
        if emb.is_rhf:
            return QPEWDMET_RHF(emb, *args, **kwargs)
        raise NotImplementedError("QP-EWDMET for UHF not implemented")
except ImportError:
    pass