def load_Lpq(self, kpti_kptj=numpy.zeros((2,3))): with h5py.File(self._cderi, 'r') as f: if self.approx_sr_level == 0: return _load3c(self._cderi, 'Lpq', kpti_kptj) else: kpti, kptj = kpti_kptj if is_zero(kpti-kptj): return pyscf.df.addons.load(self._cderi, 'Lpq/0') else: # See _fake_Lpq_kpts return pyscf.df.addons.load(self._cderi, 'Lpq/1')
def load_j3c(self, kpti_kptj=numpy.zeros((2,3))): return _load3c(self._cderi, 'j3c', kpti_kptj)