def x2c1e(self): from pyscf.x2c import x2c x2chf = x2c.UKS(self.mol) x2c_keys = x2chf._keys x2chf.__dict__.update(self.__dict__) x2chf._keys = self._keys.union(x2c_keys) return x2chf
def UKS(mol, *args): return x2c.UKS(mol, *args)
def x2c1e(self): from pyscf.x2c import x2c x2chf = x2c.UKS(self.mol) x2c_keys = x2chf._keys x2chf.__dict__.update(self.__dict__) x2chf._keys = self._keys.union(x2c_keys) return x2chf
def UKS(mol, *args): return x2c.UKS(mol, *args)