def sfx2c1e(self): from pyscf.x2c import sfx2c1e self._scf = sfx2c1e.sfx2c1e(self._scf).run() self.mo_coeff = self._scf.mo_coeff self.mo_energy = self._scf.mo_energy return self
def sfx2c1e(self): from pyscf.x2c import sfx2c1e self._scf = sfx2c1e.sfx2c1e(self._scf) return self