def _mo_without_core(gw, mo): moidx = get_frozen_mask(gw) mo = (mo[0][:, moidx[0]], mo[1][:, moidx[1]]) return np.asarray(mo)
def _mo_energy_without_core(gw, mo_energy): moidx = get_frozen_mask(gw) mo_energy = (mo_energy[0][moidx[0]], mo_energy[1][moidx[1]]) return np.asarray(mo_energy)