def ccsd(self, t1=None, t2=None, eris=None, mbpt2=False):
if mbpt2:
from pyscf.pbc.mp import mp2
pt = mp2.GMP2(self._scf, self.frozen, self.mo_coeff, self.mo_occ)
self.e_corr, self.t2 = pt.kernel(eris=eris)
nocc, nvir = self.t2.shape[1:3]
self.t1 = numpy.zeros((nocc, nvir))
return self.e_corr, self.t1, self.t2
return gccsd.GCCSD.ccsd(self, t1, t2, eris)
def GMP2(mf, frozen=None, mo_coeff=None, mo_occ=None):
mf = scf.addons.convert_to_ghf(mf)
return mp2.GMP2(mf, frozen, mo_coeff, mo_occ)