def KRCCSD(mf, frozen=[], mo_coeff=None, mo_occ=None): from pyscf.pbc.cc import kccsd_rhf return kccsd_rhf.RCCSD(mf, frozen, mo_coeff, mo_occ)
def KRCCSD(mf, frozen=0, mo_coeff=None, mo_occ=None): from pyscf.pbc.cc import kccsd_rhf mf = scf.addons.convert_to_rhf(mf) return kccsd_rhf.RCCSD(mf, frozen, mo_coeff, mo_occ)
def KRCCSD(mf, frozen=None, mo_coeff=None, mo_occ=None): from pyscf.pbc.cc import kccsd_rhf if not isinstance(mf, scf.khf.KRHF): mf = scf.addons.convert_to_rhf(mf) return kccsd_rhf.RCCSD(mf, frozen, mo_coeff, mo_occ)
def KRCCSD(mf, frozen=[]): from pyscf.pbc.cc import kccsd_rhf return kccsd_rhf.RCCSD(mf, frozen)