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)