diff --git a/examples/0-readme.py b/examples/0-readme.py
index 2190389cd3..7466294e24 100644
--- a/examples/0-readme.py
+++ b/examples/0-readme.py
@@ -6,11 +6,10 @@
 Before going throught the rest part, be sure the PySCF path is added in PYTHONPATH.
 '''
 
-from pyscf import gto
-from pyscf import scf
+import pyscf
 
 # mol is an object to hold molecule information.
-mol = gto.M(
+mol = pyscf.M(
     verbose = 4,
     output = 'out_h2o',
     atom = '''
@@ -26,7 +25,7 @@
 # control parameters.  The calculation can be executed by the kernel function.
 # Eg, to do Hartree-Fock, (1) create HF object, (2) call kernel function
 #
-mf = scf.RHF(mol)
+mf = mol.RHF()
 print('E=%.15g' % mf.kernel())
 
 
@@ -34,14 +33,18 @@
 #
 # The above code can be simplified using stream operations.
 # There are three stream functions ".set", ".run", ".apply" to pipe computing
-# streams.  Stream operations allows writing computing script in one line.
+# streams.  Stream operations allows writing multiple computing tasks in one
+# line.
 #
-mf = gto.M(
+mf = pyscf.M(
     atom = '''
       O     0    0       0
       h     0    -.757   .587
      1      0    .757    .587''',
     basis = '6-31g'
-).apply(scf.RHF).run()
+).RHF().run()
 print('E=%.15g' % mf.e_tot)
 
+
+mp2 = mol.RHF().run().MP2().run()
+print('E=%.15g' % mp2.e_tot)
diff --git a/examples/cc/00-simple_ccsd.py b/examples/cc/00-simple_ccsd.py
index e955271f2d..16d27ec167 100644
--- a/examples/cc/00-simple_ccsd.py
+++ b/examples/cc/00-simple_ccsd.py
@@ -7,14 +7,14 @@
 A simple example to run CCSD calculation.
 '''
 
-from pyscf import gto, scf, cc
+import pyscf
 
-mol = gto.M(
+mol = pyscf.M(
     atom = 'H 0 0 0; F 0 0 1.1',
     basis = 'ccpvdz')
 
-mf = scf.RHF(mol).run()
+mf = mol.RHF().run()
 
-mycc = cc.CCSD(mf).run()
+mycc = mf.CCSD().run()
 print('CCSD correlation energy', mycc.e_corr)
 
diff --git a/examples/cc/00-simple_ccsd_t.py b/examples/cc/00-simple_ccsd_t.py
index 32fac47da3..7da97f6a98 100644
--- a/examples/cc/00-simple_ccsd_t.py
+++ b/examples/cc/00-simple_ccsd_t.py
@@ -7,19 +7,19 @@
 A simple example to run CCSD(T) and UCCSD(T) calculation.
 '''
 
-from pyscf import gto, scf, cc
+import pyscf
 
-mol = gto.M(
+mol = pyscf.M(
     atom = 'H 0 0 0; F 0 0 1.1',
     basis = 'ccpvdz')
 
-mf = scf.RHF(mol).run()
-mycc = cc.CCSD(mf).run()
+mf = mol.RHF().run()
+mycc = mf.CCSD().run()
 et = mycc.ccsd_t()
 print('CCSD(T) correlation energy', mycc.e_corr + et)
 
-mf = scf.UHF(mol).run()
-mycc = cc.UCCSD(mf).run()
+mf = mol.UHF().run()
+mycc = mf.CCSD().run()
 et = mycc.ccsd_t()
 print('UCCSD(T) correlation energy', mycc.e_corr + et)
 
diff --git a/examples/ci/00-simple_cisd.py b/examples/ci/00-simple_cisd.py
index 0719aa4765..a65ef7404e 100644
--- a/examples/ci/00-simple_cisd.py
+++ b/examples/ci/00-simple_cisd.py
@@ -7,17 +7,17 @@
 A simple example to run CISD calculation.
 '''
 
-from pyscf import gto, scf, ci
+import pyscf
 
-mol = gto.M(
+mol = pyscf.M(
     atom = 'H 0 0 0; F 0 0 1.1',
     basis = 'ccpvdz')
 
-mf = scf.RHF(mol).run()
-mycc = ci.CISD(mf).run()
+mf = mol.HF().run()
+mycc = mf.CISD().run()
 print('RCISD correlation energy', mycc.e_corr)
 
-mf = scf.UHF(mol).run()
-mycc = ci.CISD(mf).run()
+mf = mol.UHF().run()
+mycc = mf.CISD().run()
 print('UCISD correlation energy', mycc.e_corr)
 
diff --git a/examples/dft/00-simple_dft.py b/examples/dft/00-simple_dft.py
index 755a24f953..eca8306a55 100644
--- a/examples/dft/00-simple_dft.py
+++ b/examples/dft/00-simple_dft.py
@@ -3,7 +3,7 @@
 # Author: Qiming Sun <osirpt.sun@gmail.com>
 #
 
-from pyscf import gto, dft
+import pyscf
 
 '''
 A simple example to run DFT calculation.
@@ -12,14 +12,13 @@
 available XC functionals.
 '''
 
-mol = gto.Mole()
-mol.build(
+mol = pyscf.M(
     atom = 'H 0 0 0; F 0 0 1.1',  # in Angstrom
     basis = '631g',
     symmetry = True,
 )
 
-mf = dft.RKS(mol)
+mf = mol.KS()
 #mf.xc = 'svwn' # shorthand for slater,vwn
 #mf.xc = 'bp86' # shorthand for b88,p86
 #mf.xc = 'blyp' # shorthand for b88,lyp
diff --git a/examples/mcscf/00-simple_casci.py b/examples/mcscf/00-simple_casci.py
index d0632ddf60..9e5d933aca 100644
--- a/examples/mcscf/00-simple_casci.py
+++ b/examples/mcscf/00-simple_casci.py
@@ -7,20 +7,22 @@
 A simple example to run CASCI calculation.
 '''
 
-import numpy
-from pyscf import gto, scf, mcscf
+import pyscf
 
-mol = gto.M(
+mol = pyscf.M(
     atom = 'O 0 0 0; O 0 0 1.2',
     basis = 'ccpvdz',
     spin = 2)
 
-myhf = scf.RHF(mol)
-myhf.kernel()
+myhf = mol.RHF().run()
 
 # 6 orbitals, 8 electrons
-mycas = mcscf.CASCI(myhf, 6, 8)
-mycas.kernel()
+mycas = myhf.CASCI(6, 8).run()
+#
+# Note this mycas object can also be created using the APIs of mcscf module:
+#
+# from pyscf import mcscf
+# mycas = mcscf.CASCI(myhf, 6, 8).run()
 
 # Natural occupancy in CAS space, Mulliken population etc.
 mycas.verbose = 4
diff --git a/examples/mcscf/00-simple_casscf.py b/examples/mcscf/00-simple_casscf.py
index 899c37771f..97c99ceca5 100644
--- a/examples/mcscf/00-simple_casscf.py
+++ b/examples/mcscf/00-simple_casscf.py
@@ -7,20 +7,22 @@
 A simple example to run CASSCF calculation.
 '''
 
-import numpy
-from pyscf import gto, scf, mcscf
+import pyscf
 
-mol = gto.M(
+mol = pyscf.M(
     atom = 'O 0 0 0; O 0 0 1.2',
     basis = 'ccpvdz',
     spin = 2)
 
-myhf = scf.RHF(mol)
-myhf.kernel()
+myhf = mol.RHF().run()
 
 # 6 orbitals, 8 electrons
-mycas = mcscf.CASSCF(myhf, 6, 8)
-mycas.kernel()
+mycas = myhf.CASSCF(6, 8).run()
+#
+# Note this mycas object can also be created using the APIs of mcscf module:
+#
+# from pyscf import mcscf
+# mycas = mcscf.CASSCF(myhf, 6, 8).run()
 
 # Natural occupancy in CAS space, Mulliken population etc.
 # See also 00-simple_casci.py for the instruction of the output of analyze()
diff --git a/examples/scf/00-simple_hf.py b/examples/scf/00-simple_hf.py
index 50ccada0f4..56c8f2a8a9 100644
--- a/examples/scf/00-simple_hf.py
+++ b/examples/scf/00-simple_hf.py
@@ -10,17 +10,30 @@
 .analyze() function calls the Mulliken population analysis etc.
 '''
 
-from pyscf import gto, scf
+import pyscf
 
-mol = gto.Mole()
-mol.build(
+mol = pyscf.M(
     atom = 'H 0 0 0; F 0 0 1.1',  # in Angstrom
     basis = 'ccpvdz',
     symmetry = True,
 )
 
-myhf = scf.RHF(mol)
+myhf = mol.HF()
 myhf.kernel()
 
 # Orbital energies, Mulliken population etc.
 myhf.analyze()
+
+
+#
+# myhf object can also be created using the APIs of gto, scf module
+#
+from pyscf import gto, scf
+mol = gto.M(
+    atom = 'H 0 0 0; F 0 0 1.1',  # in Angstrom
+    basis = 'ccpvdz',
+    symmetry = True,
+)
+myhf = scf.HF(mol)
+myhf.kernel()
+
diff --git a/pyscf/__all__.py b/pyscf/__all__.py
new file mode 100644
index 0000000000..866d8eccef
--- /dev/null
+++ b/pyscf/__all__.py
@@ -0,0 +1,40 @@
+from . import post_scf
+from . import grad
+from . import gw
+from . import hci
+from . import hessian
+from . import lo
+from . import mrpt
+from . import prop
+from . import qmmm
+#from . import semiempirical
+from . import sgx
+from . import solvent
+from . import tools
+
+#from . import geomopt
+
+#try:
+#    from . import dftd3
+#except ImportError:
+#    pass
+#try:
+#    from . import dmrgscf
+#except ImportError:
+#    pass
+#try:
+#    from . import icmpspt
+#except ImportError:
+#    pass
+#try:
+#    from . import shciscf
+#except ImportError:
+#    pass
+#try:
+#    from . import cornell_shci
+#except ImportError:
+#    pass
+
+from .pbc import __all__
+del __all__
+
diff --git a/pyscf/__init__.py b/pyscf/__init__.py
index bbd036e383..5b2d08e01f 100644
--- a/pyscf/__init__.py
+++ b/pyscf/__init__.py
@@ -35,7 +35,7 @@
 
 '''
 
-__version__ = '1.6.1'
+__version__ = '1.7.1'
 
 import os
 import sys
@@ -59,4 +59,12 @@
 
 DEBUG = __config__.DEBUG
 
+def M(**kwargs):
+    '''Main driver to create Molecule object (mol) or Material crystal object (cell)'''
+    if kwargs.get('a') is not None:  # a is crystal lattice parameter
+        from pyscf.pbc import gto as pgto
+        return pgto.M(**kwargs)
+    else:  # Molecule
+        return gto.M(**kwargs)
+
 del(os, sys, LooseVersion, numpy)
diff --git a/pyscf/cornell_shci/shci.py b/pyscf/cornell_shci/shci.py
index 3989eaacc4..de1392f2c9 100644
--- a/pyscf/cornell_shci/shci.py
+++ b/pyscf/cornell_shci/shci.py
@@ -52,7 +52,7 @@
     settings.MPIPREFIX = getattr(__config__, 'shci_MPIPREFIX', None)
     if settings.SHCIEXE is None:
         import sys
-        sys.stderr.write('settings.py not found.  Please create %s\n'
+        sys.stderr.write('settings.py not found for module cornell_shci.  Please create %s\n'
                          % os.path.join(os.path.dirname(__file__), 'settings.py'))
         raise ImportError('settings.py not found')
 
diff --git a/pyscf/dft/__init__.py b/pyscf/dft/__init__.py
index 7b3109799c..54b1501d9a 100644
--- a/pyscf/dft/__init__.py
+++ b/pyscf/dft/__init__.py
@@ -27,10 +27,12 @@
 
 try:
     from pyscf.dft import libxc
+    XC = libxc.XC
 except (ImportError, OSError):
     pass
 try:
     from pyscf.dft import xcfun
+    XC = xcfun.XC
 except (ImportError, OSError):
     pass
 #from pyscf.dft import xc
diff --git a/pyscf/dmrgscf/dmrgci.py b/pyscf/dmrgscf/dmrgci.py
index a445b31115..a8a11e3f8d 100644
--- a/pyscf/dmrgscf/dmrgci.py
+++ b/pyscf/dmrgscf/dmrgci.py
@@ -55,7 +55,7 @@
     settings.BLOCKVERSION = getattr(__config__, 'dmrgscf_BLOCKVERSION', None)
     if (settings.BLOCKEXE is None or settings.BLOCKSCRATCHDIR is None):
         import sys
-        sys.stderr.write('settings.py not found.  Please create %s\n'
+        sys.stderr.write('settings.py not found for module dmrgci.  Please create %s\n'
                          % os.path.join(os.path.dirname(__file__), 'settings.py'))
         raise ImportError('settings.py not found')
 
diff --git a/pyscf/fciqmcscf/fciqmc.py b/pyscf/fciqmcscf/fciqmc.py
index 81802ae91e..d0d9f3697d 100644
--- a/pyscf/fciqmcscf/fciqmc.py
+++ b/pyscf/fciqmcscf/fciqmc.py
@@ -31,7 +31,7 @@
 try:
     from pyscf.fciqmcscf import settings
 except ImportError:
-    msg = '''settings.py not found.  Please create %s
+    msg = '''settings.py not found for module fciqmcscf.  Please create %s
 ''' % os.path.join(os.path.dirname(__file__), 'settings.py')
     sys.stderr.write(msg)
 
diff --git a/pyscf/gto/mole.py b/pyscf/gto/mole.py
index 72c44658f9..5c97531a9d 100644
--- a/pyscf/gto/mole.py
+++ b/pyscf/gto/mole.py
@@ -1947,6 +1947,44 @@ def ms(self):
     def ms(self, x):
         self.spin = int(round(2*x, 4))
 
+    def __getattr__(self, key):
+        '''To support accessing methods (mol.HF, mol.KS, mol.CCSD, mol.CASSCF, ...)
+        from Mole object.
+        '''
+        # https://github.com/mewwts/addict/issues/26
+        # https://github.com/jupyter/notebook/issues/2014
+        if key in ('_ipython_canary_method_should_not_exist_',
+                   '_repr_mimebundle_'):
+            raise AttributeError
+
+        # Import all available modules. Some methods are registered to other
+        # classes/modules when importing modules in __all__.
+        from pyscf import __all__
+        from pyscf import scf, dft
+        for mod in (scf, dft):
+            method = getattr(mod, key, None)
+            if callable(method):
+                return method(self)
+
+        if 'TD' in key[:3]:
+            if key in ('TDHF', 'TDA'):
+                mf = scf.HF(self)
+            else:
+                mf = dft.KS(self)
+                xc = key.split('TD', 1)[1]
+                if xc in dft.XC:
+                    mf.xc = xc
+                    key = 'TDDFT'
+        else:
+            mf = scf.HF(self)
+
+        method = getattr(mf, key)
+        if method is None:
+            raise AttributeError
+
+        mf.run()
+        return method
+
 # need "deepcopy" here because in shallow copy, _env may get new elements but
 # with ptr_env unchanged
 # def __copy__(self):
@@ -3065,28 +3103,8 @@ def apply(self, fn, *args, **kwargs):
         if callable(fn):
             return lib.StreamObject.apply(self, fn, *args, **kwargs)
         elif isinstance(fn, (str, unicode)):
-            from pyscf import scf, dft, mp, cc, ci, mcscf, tdscf
-            # Import all available modules. Some methods are registered when
-            # loading these modules.
-            from pyscf import grad, hessian, solvent, qmmm, prop
-            for mod in (scf, dft):
-                method = getattr(mod, fn.upper(), None)
-                if method is not None and callable(method):
-                    return method(self, *args, **kwargs)
-
-            for mod in (mp, cc, ci, mcscf):
-                method = getattr(mod, fn.upper(), None)
-                if method is not None and callable(method):
-                    return method(scf.HF(self).run(), *args, **kwargs)
-
-            if fn.upper() == 'TDHF':
-                return tdscf.TDHF(scf.HF(self).run(), *args, **kwargs)
-            else:
-                method = getattr(tdscf, fn.upper(), None)
-                if method is not None and callable(method):
-                    return method(scf.HF(self).run(), *args, **kwargs)
-
-            raise ValueError('Unknown method %s' % fn)
+            method = getattr(self, fn.upper())
+            return method(*args, **kwargs)
         else:
             raise TypeError('First argument of .apply method must be a '
                             'function/class or a name (string) of a method.')
diff --git a/pyscf/gto/test/test_mole.py b/pyscf/gto/test/test_mole.py
index 0064c76bf1..2da7e3bf41 100644
--- a/pyscf/gto/test/test_mole.py
+++ b/pyscf/gto/test/test_mole.py
@@ -824,6 +824,20 @@ def test_to_uncontracted_cartesian_basis(self):
         self.assertAlmostEqual(abs(s-mol0.intor('int1e_ovlp')).max(), 0, 9)
         mol0.cart = False
 
+    def test_getattr(self):
+        from pyscf import scf, dft, ci, tdscf
+        mol = gto.M(atom='He')
+        self.assertEqual(mol.HF().__class__, scf.HF(mol).__class__)
+        self.assertEqual(mol.KS().__class__, dft.KS(mol).__class__)
+        self.assertEqual(mol.UKS().__class__, dft.UKS(mol).__class__)
+        self.assertEqual(mol.CISD().__class__, ci.cisd.RCISD)
+        self.assertEqual(mol.TDA().__class__, tdscf.rks.TDA)
+        self.assertEqual(mol.dTDA().__class__, tdscf.rks.dTDA)
+        self.assertEqual(mol.TDBP86().__class__, tdscf.rks.TDDFTNoHybrid)
+        self.assertEqual(mol.TDB3LYP().__class__, tdscf.rks.TDDFT)
+        self.assertRaises(AttributeError, lambda: mol.xyz)
+        self.assertRaises(AttributeError, lambda: mol.TDxyz)
+
 
 if __name__ == "__main__":
     print("test mole.py")
diff --git a/pyscf/lib/misc.py b/pyscf/lib/misc.py
index 08d1456a5e..e8b38706a8 100644
--- a/pyscf/lib/misc.py
+++ b/pyscf/lib/misc.py
@@ -489,6 +489,9 @@ def set(self, **kwargs):
             setattr(self, k, v)
         return self
 
+    # An alias to .set method
+    __call__ = set
+
     def apply(self, fn, *args, **kwargs):
         '''
         Apply the fn to rest arguments:  return fn(*args, **kwargs).  The
@@ -614,6 +617,7 @@ def fn(obj, *args, **kwargs):
         return cls(obj, *args, **kwargs)
     fn.__doc__ = cls.__doc__
     fn.__name__ = cls.__name__
+    fn.__module__ = cls.__module__
     return fn
 
 def import_as_method(fn, default_keys=None):
diff --git a/pyscf/pbc/__all__.py b/pyscf/pbc/__all__.py
new file mode 100644
index 0000000000..0f10b953bf
--- /dev/null
+++ b/pyscf/pbc/__all__.py
@@ -0,0 +1,9 @@
+from . import mp, ci, cc, tdscf
+from . import ao2mo
+from . import df
+from . import dft
+#from . import grad
+#from . import lo
+#from . import prop
+from . import tools
+from . import x2c
diff --git a/pyscf/pbc/cc/__init__.py b/pyscf/pbc/cc/__init__.py
index f0af9a0498..d9be0e8555 100644
--- a/pyscf/pbc/cc/__init__.py
+++ b/pyscf/pbc/cc/__init__.py
@@ -15,6 +15,9 @@
 
 from pyscf.pbc import scf
 from pyscf.pbc.cc import ccsd
+from pyscf.pbc.cc import kccsd_rhf as krccsd
+from pyscf.pbc.cc import kccsd_uhf as kuccsd
+from pyscf.pbc.cc import kccsd     as kgccsd
 
 def RCCSD(mf, frozen=0, mo_coeff=None, mo_occ=None):
     mf = scf.addons.convert_to_rhf(mf)
diff --git a/pyscf/pbc/cc/ccsd.py b/pyscf/pbc/cc/ccsd.py
index 83df9af716..db23faae7a 100644
--- a/pyscf/pbc/cc/ccsd.py
+++ b/pyscf/pbc/cc/ccsd.py
@@ -145,3 +145,11 @@ def _adjust_occ(mo_energy, nocc, shift):
     mo_energy = mo_energy.copy()
     mo_energy[:nocc] += shift
     return mo_energy
+
+
+from pyscf.pbc import scf
+scf.hf.RHF.CCSD = lib.class_as_method(RCCSD)
+scf.uhf.UHF.CCSD = lib.class_as_method(UCCSD)
+scf.ghf.GHF.CCSD = lib.class_as_method(GCCSD)
+scf.rohf.ROHF.CCSD = None
+
diff --git a/pyscf/pbc/cc/kccsd.py b/pyscf/pbc/cc/kccsd.py
index 8193cd4970..3c51907de3 100644
--- a/pyscf/pbc/cc/kccsd.py
+++ b/pyscf/pbc/cc/kccsd.py
@@ -799,6 +799,11 @@ def make_ea(self, ea_partition=None):
         self.made_ea_imds = True
         log.timer('EOM-CCSD EA intermediates', *cput0)
 
+
+from pyscf.pbc import scf
+scf.kghf.KGHF.CCSD = lib.class_as_method(KGCCSD)
+
+
 if __name__ == '__main__':
     from pyscf.pbc import gto, scf, cc
 
diff --git a/pyscf/pbc/cc/kccsd_rhf.py b/pyscf/pbc/cc/kccsd_rhf.py
index 8984ab1ad3..2500c6d87e 100644
--- a/pyscf/pbc/cc/kccsd_rhf.py
+++ b/pyscf/pbc/cc/kccsd_rhf.py
@@ -1103,6 +1103,11 @@ def _mem_usage(nkpts, nocc, nvir):
     return incore * 16 / 1e6, outcore * 16 / 1e6, basic * 16 / 1e6
 
 
+from pyscf.pbc import scf
+scf.khf.KRHF.CCSD = lib.class_as_method(KRCCSD)
+scf.krohf.KROHF.CCSD = None
+
+
 if __name__ == '__main__':
     from pyscf.pbc import gto, scf, cc
 
diff --git a/pyscf/pbc/cc/kccsd_uhf.py b/pyscf/pbc/cc/kccsd_uhf.py
index 00a355c759..223cf69563 100644
--- a/pyscf/pbc/cc/kccsd_uhf.py
+++ b/pyscf/pbc/cc/kccsd_uhf.py
@@ -1127,6 +1127,10 @@ def _make_df_eris(cc, mo_coeff=None):
     return eris
 
 
+from pyscf.pbc import scf
+scf.kuhf.KUHF.CCSD = lib.class_as_method(KUCCSD)
+
+
 if __name__ == '__main__':
     from pyscf.pbc import gto, scf, cc
     from pyscf import lo
diff --git a/pyscf/pbc/ci/cisd.py b/pyscf/pbc/ci/cisd.py
index 8847aaf570..7dfc2089a0 100644
--- a/pyscf/pbc/ci/cisd.py
+++ b/pyscf/pbc/ci/cisd.py
@@ -107,3 +107,11 @@ def ao2mofn(mo_coeff):
             madelung = tools.madelung(self._scf.cell, self._scf.kpt)
             eris.mo_energy = _adjust_occ(eris.mo_energy, eris.nocc, -madelung)
         return eris
+
+
+from pyscf.pbc import scf
+scf.hf.RHF.CISD = lib.class_as_method(RCISD)
+scf.uhf.UHF.CISD = lib.class_as_method(UCISD)
+scf.ghf.GHF.CISD = lib.class_as_method(GCISD)
+scf.rohf.ROHF.CISD = None
+
diff --git a/pyscf/pbc/gto/cell.py b/pyscf/pbc/gto/cell.py
index 066f184878..1b5116988d 100644
--- a/pyscf/pbc/gto/cell.py
+++ b/pyscf/pbc/gto/cell.py
@@ -1116,6 +1116,60 @@ def nelec(self):
                               'in unit cell\n' % (ne, self.spin))
             return nalpha, nbeta
 
+    def __getattr__(self, key):
+        '''To support accessing methods (cell.HF, cell.KKS, cell.KUCCSD, ...)
+        from Cell object.
+        '''
+        # https://github.com/mewwts/addict/issues/26
+        # https://github.com/jupyter/notebook/issues/2014
+        if key in ('_ipython_canary_method_should_not_exist_',
+                   '_repr_mimebundle_'):
+            raise AttributeError
+
+        # Import all available modules. Some methods are registered to other
+        # classes/modules when importing modules in __all__.
+        from pyscf.pbc import __all__
+        from pyscf.pbc import scf, dft
+        from pyscf.dft import XC
+        for mod in (scf, dft):
+            method = getattr(mod, key, None)
+            if callable(method):
+                return method(self)
+
+        if key[0] == 'K':  # with k-point sampling
+            if 'TD' in key[:4]:
+                if key in ('KTDHF', 'KTDA'):
+                    mf = scf.KHF(self)
+                else:
+                    mf = dft.KKS(self)
+                    xc = key.split('TD', 1)[1]
+                    if xc in XC:
+                        mf.xc = xc
+                        key = 'KTDDFT'
+            else:
+                mf = scf.KHF(self)
+            # Remove prefix 'K' because methods are registered without the leading 'K'
+            key = key[1:]
+        else:
+            if 'TD' in key[:3]:
+                if key in ('TDHF', 'TDA'):
+                    mf = scf.HF(self)
+                else:
+                    mf = dft.KS(self)
+                    xc = key.split('TD', 1)[1]
+                    if xc in XC:
+                        mf.xc = xc
+                        key = 'TDDFT'
+            else:
+                mf = scf.HF(self)
+
+        method = getattr(mf, key)
+        if method is None:
+            raise AttributeError
+
+        mf.run()
+        return method
+
     tot_electrons = tot_electrons
 
 #Note: Exculde dump_input, parse_arg, basis from kwargs to avoid parsing twice
@@ -1589,24 +1643,4 @@ def has_ecp(self):
         '''Whether pseudo potential is used in the system.'''
         return self.pseudo or self._pseudo or (len(self._ecpbas) > 0)
 
-    def apply(self, fn, *args, **kwargs):
-        if callable(fn):
-            return lib.StreamObject.apply(self, fn, *args, **kwargs)
-        elif isinstance(fn, (str, unicode)):
-            from pyscf.pbc import scf, dft, mp, cc, ci, tdscf
-            for mod in (scf, dft):
-                method = getattr(mod, fn.upper(), None)
-                if method is not None and callable(method):
-                    return method(self, *args, **kwargs)
-
-            for mod in (mp, cc, ci, tdscf):
-                method = getattr(mod, fn.upper(), None)
-                if method is not None and callable(method):
-                    return method(scf.HF(self).run(), *args, **kwargs)
-
-            raise ValueError('Unknown method %s' % fn)
-        else:
-            raise TypeError('First argument of .apply method must be a '
-                            'function or a string.')
-
 del(INTEGRAL_PRECISION, WRAP_AROUND, WITH_GAMMA, EXP_DELIMITER)
diff --git a/pyscf/pbc/gto/test/test_cell.py b/pyscf/pbc/gto/test/test_cell.py
index e998b4125b..489137a091 100644
--- a/pyscf/pbc/gto/test/test_cell.py
+++ b/pyscf/pbc/gto/test/test_cell.py
@@ -327,6 +327,24 @@ def test_basis_truncation(self):
         self.assertEqual(len(b[0][1]), 4)
         self.assertEqual(len(b[1][1]), 2)
 
+    def test_getattr(self):
+        from pyscf.pbc import scf, dft, cc, tdscf
+        cell = pgto.M(atom='He', a=np.eye(3)*4, basis={'He': [[0, (1, 1)]]})
+        self.assertEqual(cell.HF().__class__, scf.HF(cell).__class__)
+        self.assertEqual(cell.KS().__class__, dft.KS(cell).__class__)
+        self.assertEqual(cell.UKS().__class__, dft.UKS(cell).__class__)
+        self.assertEqual(cell.KROHF().__class__, scf.KROHF(cell).__class__)
+        self.assertEqual(cell.KKS().__class__, dft.KKS(cell).__class__)
+        self.assertEqual(cell.CCSD().__class__, cc.ccsd.RCCSD)
+        self.assertEqual(cell.TDA().__class__, tdscf.rks.TDA)
+        self.assertEqual(cell.TDBP86().__class__, tdscf.rks.TDDFTNoHybrid)
+        self.assertEqual(cell.TDB3LYP().__class__, tdscf.rks.TDDFT)
+        self.assertEqual(cell.KCCSD().__class__, cc.kccsd_rhf.KRCCSD)
+        self.assertEqual(cell.KTDA().__class__, tdscf.krks.TDA)
+        self.assertEqual(cell.KTDBP86().__class__, tdscf.krks.TDDFTNoHybrid)
+        self.assertRaises(AttributeError, lambda: cell.xyz)
+        self.assertRaises(AttributeError, lambda: cell.TDxyz)
+
 
 if __name__ == '__main__':
     print("Full Tests for pbc.gto.cell")
diff --git a/pyscf/pbc/mp/kmp2.py b/pyscf/pbc/mp/kmp2.py
index b759d7e751..00df3e2e67 100644
--- a/pyscf/pbc/mp/kmp2.py
+++ b/pyscf/pbc/mp/kmp2.py
@@ -461,6 +461,12 @@ def kernel(self, mo_energy=None, mo_coeff=None):
 KRMP2 = KMP2
 
 
+from pyscf.pbc import scf
+scf.khf.KRHF.MP2 = lib.class_as_method(KRMP2)
+scf.kghf.KGHF.MP2 = None
+scf.krohf.KROHF.MP2 = None
+
+
 if __name__ == '__main__':
     from pyscf.pbc import gto, scf, mp
 
diff --git a/pyscf/pbc/mp/kump2.py b/pyscf/pbc/mp/kump2.py
index d525897dc7..0738d0f991 100644
--- a/pyscf/pbc/mp/kump2.py
+++ b/pyscf/pbc/mp/kump2.py
@@ -404,6 +404,11 @@ def kernel(self, mo_energy=None, mo_coeff=None):
         logger.log(self, 'KMP2 energy = %.15g', self.e_corr)
         return self.e_corr, self.t2
 
+
+from pyscf.pbc import scf
+scf.kuhf.KUHF.MP2 = lib.class_as_method(KUMP2)
+
+
 if __name__ == '__main__':
     from pyscf.pbc import gto, scf, mp
 
diff --git a/pyscf/pbc/mp/mp2.py b/pyscf/pbc/mp/mp2.py
index d66cc1f5d0..b31062303f 100644
--- a/pyscf/pbc/mp/mp2.py
+++ b/pyscf/pbc/mp/mp2.py
@@ -86,3 +86,11 @@ def _gen_ao2mofn(mf):
     def ao2mofn(mo_coeff):
         return with_df.ao2mo(mo_coeff, kpt, compact=False)
     return ao2mofn
+
+
+from pyscf.pbc import scf
+scf.hf.RHF.MP2 = lib.class_as_method(RMP2)
+scf.uhf.UHF.MP2 = lib.class_as_method(UMP2)
+scf.ghf.GHF.MP2 = lib.class_as_method(GMP2)
+scf.rohf.ROHF.MP2 = None
+
diff --git a/pyscf/pbc/tdscf/__init__.py b/pyscf/pbc/tdscf/__init__.py
index 8884e1035f..fd2fe7d0c2 100644
--- a/pyscf/pbc/tdscf/__init__.py
+++ b/pyscf/pbc/tdscf/__init__.py
@@ -65,19 +65,13 @@ def TDDFT(mf):
     if isinstance(mf, scf.uhf.UHF):
         #mf = scf.addons.convert_to_uhf(mf)
         if getattr(mf, 'xc', None):
-            if mf._numint.libxc.is_hybrid_xc(mf.xc):
-                return uks.TDDFT(mf)
-            else:
-                return uks.TDDFTNoHybrid(mf)
+            return uks.tddft(mf)
         else:
             return uhf.TDHF(mf)
     else:
         #mf = scf.addons.convert_to_rhf(mf)
         if getattr(mf, 'xc', None):
-            if mf._numint.libxc.is_hybrid_xc(mf.xc):
-                return rks.TDDFT(mf)
-            else:
-                return rks.TDDFTNoHybrid(mf)
+            return rks.tddft(mf)
         else:
             return rhf.TDHF(mf)
 
@@ -107,18 +101,12 @@ def KTDDFT(mf):
     from pyscf.pbc import scf
     if isinstance(mf, scf.uhf.UHF):
         if getattr(mf, 'xc', None):
-            if mf._numint.libxc.is_hybrid_xc(mf.xc):
-                return kuks.TDDFT(mf)
-            else:
-                return kuks.TDDFTNoHybrid(mf)
+            return kuks.tddft(mf)
         else:
             return kuhf.TDHF(mf)
     else:
         if getattr(mf, 'xc', None):
-            if mf._numint.libxc.is_hybrid_xc(mf.xc):
-                return krks.TDDFT(mf)
-            else:
-                return krks.TDDFTNoHybrid(mf)
+            return krks.tddft(mf)
         else:
             return krhf.TDHF(mf)
 
diff --git a/pyscf/pbc/tdscf/krhf.py b/pyscf/pbc/tdscf/krhf.py
index e9c2dce98e..15f626473e 100644
--- a/pyscf/pbc/tdscf/krhf.py
+++ b/pyscf/pbc/tdscf/krhf.py
@@ -262,6 +262,13 @@ def _unpack(vo, mo_occ):
     return z
 
 
+from pyscf.pbc import scf
+scf.khf.KRHF.TDA  = lib.class_as_method(KTDA)
+scf.khf.KRHF.TDHF = lib.class_as_method(KTDHF)
+scf.krohf.KROHF.TDA  = None
+scf.krohf.KROHF.TDHF = None
+
+
 if __name__ == '__main__':
     from pyscf.pbc import gto
     from pyscf.pbc import scf
diff --git a/pyscf/pbc/tdscf/krks.py b/pyscf/pbc/tdscf/krks.py
index 03a5b978a9..e89d51e426 100644
--- a/pyscf/pbc/tdscf/krks.py
+++ b/pyscf/pbc/tdscf/krks.py
@@ -38,6 +38,22 @@
 TDDFTNoHybrid = TDDFT
 
 
+def tddft(mf):
+    '''Driver to create TDDFT or TDDFTNoHybrid object'''
+    if mf._numint.libxc.is_hybrid_xc(mf.xc):
+        return TDDFT(mf)
+    else:
+        return TDDFTNoHybrid(mf)
+
+from pyscf.pbc import dft
+dft.krks.KRKS.TDA   = lib.class_as_method(KTDA)
+dft.krks.KRKS.TDHF  = None
+dft.krks.KRKS.TDDFT = tddft
+dft.kroks.KROKS.TDA   = None
+dft.kroks.KROKS.TDHF  = None
+dft.kroks.KROKS.TDDFT = None
+
+
 if __name__ == '__main__':
     from pyscf.pbc import gto
     from pyscf.pbc import scf
diff --git a/pyscf/pbc/tdscf/kuhf.py b/pyscf/pbc/tdscf/kuhf.py
index c387203009..a91225483d 100644
--- a/pyscf/pbc/tdscf/kuhf.py
+++ b/pyscf/pbc/tdscf/kuhf.py
@@ -291,6 +291,11 @@ def _unpack(vo, mo_occ):
     return za, zb
 
 
+from pyscf.pbc import scf
+scf.kuhf.KUHF.TDA  = lib.class_as_method(KTDA)
+scf.kuhf.KUHF.TDHF = lib.class_as_method(KTDHF)
+
+
 if __name__ == '__main__':
     from pyscf.pbc import gto
     from pyscf.pbc import scf
diff --git a/pyscf/pbc/tdscf/kuks.py b/pyscf/pbc/tdscf/kuks.py
index 1cd12280c3..6f4b998465 100644
--- a/pyscf/pbc/tdscf/kuks.py
+++ b/pyscf/pbc/tdscf/kuks.py
@@ -26,6 +26,20 @@
 TDDFTNoHybrid = TDDFT
 
 
+def tddft(mf):
+    '''Driver to create TDDFT or TDDFTNoHybrid object'''
+    if mf._numint.libxc.is_hybrid_xc(mf.xc):
+        return TDDFT(mf)
+    else:
+        return TDDFTNoHybrid(mf)
+
+from pyscf import lib
+from pyscf.pbc import dft
+dft.kuks.KUKS.TDA   = lib.class_as_method(KTDA)
+dft.kuks.KUKS.TDHF  = None
+dft.kuks.KUKS.TDDFT = tddft
+
+
 if __name__ == '__main__':
 
     from pyscf.pbc import gto
diff --git a/pyscf/pbc/tdscf/rhf.py b/pyscf/pbc/tdscf/rhf.py
index ec17d86650..ac67a2b47d 100644
--- a/pyscf/pbc/tdscf/rhf.py
+++ b/pyscf/pbc/tdscf/rhf.py
@@ -51,3 +51,10 @@ def nuc_grad_method(self):
 
 RPA = TDRHF = TDHF
 
+
+from pyscf.pbc import scf
+scf.hf.RHF.TDA = lib.class_as_method(TDA)
+scf.hf.RHF.TDHF = lib.class_as_method(TDHF)
+scf.rohf.ROHF.TDA = None
+scf.rohf.ROHF.TDHF = None
+
diff --git a/pyscf/pbc/tdscf/rks.py b/pyscf/pbc/tdscf/rks.py
index e8a5efde84..775d81b8ee 100644
--- a/pyscf/pbc/tdscf/rks.py
+++ b/pyscf/pbc/tdscf/rks.py
@@ -33,3 +33,18 @@ def vindp(x):
     def nuc_grad_method(self):
         raise NotImplementedError
 
+def tddft(mf):
+    '''Driver to create TDDFT or TDDFTNoHybrid object'''
+    if mf._numint.libxc.is_hybrid_xc(mf.xc):
+        return TDDFT(mf)
+    else:
+        return TDDFTNoHybrid(mf)
+
+from pyscf import lib
+from pyscf.pbc import dft
+dft.rks.RKS.TDA           = lib.class_as_method(TDA)
+dft.rks.RKS.TDHF          = None
+dft.rks.RKS.TDDFT         = tddft
+#dft.rks.RKS.dTDA          = lib.class_as_method(dTDA)
+#dft.rks.RKS.dRPA          = lib.class_as_method(dRPA)
+
diff --git a/pyscf/pbc/tdscf/uhf.py b/pyscf/pbc/tdscf/uhf.py
index 3022559511..9dbd0406d0 100644
--- a/pyscf/pbc/tdscf/uhf.py
+++ b/pyscf/pbc/tdscf/uhf.py
@@ -45,49 +45,10 @@ def vindp(x):
     def nuc_grad_method(self):
         raise NotImplementedError
 
-
 RPA = TDUHF = TDHF
 
 
-
-if __name__ == '__main__':
-    from pyscf import gto
-    from pyscf import scf
-    mol = gto.Mole()
-    mol.verbose = 0
-    mol.output = None
-
-    mol.atom = [
-        ['H' , (0. , 0. , .917)],
-        ['F' , (0. , 0. , 0.)], ]
-    mol.basis = '631g'
-    mol.build()
-
-    mf = scf.UHF(mol).run()
-    td = TDA(mf)
-    td.nstates = 5
-    td.verbose = 3
-    print(td.kernel()[0] * 27.2114)
-# [ 11.01748568  11.01748568  11.90277134  11.90277134  13.16955369]
-
-    td = TDHF(mf)
-    td.nstates = 5
-    td.verbose = 3
-    print(td.kernel()[0] * 27.2114)
-# [ 10.89192986  10.89192986  11.83487865  11.83487865  12.6344099 ]
-
-    mol.spin = 2
-    mf = scf.UHF(mol).run()
-    td = TDA(mf)
-    td.nstates = 6
-    td.verbose = 3
-    print(td.kernel()[0] * 27.2114)
-# FIXME:  first state
-# [ 0.02231607274  3.32113736  18.55977052  21.01474222  21.61501962  25.0938973 ]
-
-    td = TDHF(mf)
-    td.nstates = 4
-    td.verbose = 3
-    print(td.kernel()[0] * 27.2114)
-# [ 3.31267103  18.4954748   20.84935404  21.54808392]
+from pyscf.pbc import scf
+scf.uhf.UHF.TDA = lib.class_as_method(TDA)
+scf.uhf.UHF.TDHF = lib.class_as_method(TDHF)
 
diff --git a/pyscf/pbc/tdscf/uks.py b/pyscf/pbc/tdscf/uks.py
index a6f26d45a8..bd4afd180b 100644
--- a/pyscf/pbc/tdscf/uks.py
+++ b/pyscf/pbc/tdscf/uks.py
@@ -34,3 +34,18 @@ def vindp(x):
     def nuc_grad_method(self):
         raise NotImplementedError
 
+def tddft(mf):
+    '''Driver to create TDDFT or TDDFTNoHybrid object'''
+    if mf._numint.libxc.is_hybrid_xc(mf.xc):
+        return TDDFT(mf)
+    else:
+        return TDDFTNoHybrid(mf)
+
+from pyscf import lib
+from pyscf.pbc import dft
+dft.uks.UKS.TDA           = lib.class_as_method(TDA)
+dft.uks.UKS.TDHF          = None
+dft.uks.UKS.TDDFT         = tddft
+#dft.rks.RKS.dTDA          = lib.class_as_method(dTDA)
+#dft.rks.RKS.dRPA          = lib.class_as_method(dRPA)
+
diff --git a/pyscf/post_scf.py b/pyscf/post_scf.py
new file mode 100644
index 0000000000..6f99fc1694
--- /dev/null
+++ b/pyscf/post_scf.py
@@ -0,0 +1 @@
+from . import mp, ci, cc, mcscf, fci, tdscf
diff --git a/pyscf/shciscf/shci.py b/pyscf/shciscf/shci.py
index 200b4229c4..faff43bcfb 100644
--- a/pyscf/shciscf/shci.py
+++ b/pyscf/shciscf/shci.py
@@ -49,7 +49,7 @@
     settings.MPIPREFIX = getattr(__config__, 'shci_MPIPREFIX', None)
     if (settings.SHCIEXE is None or settings.SHCISCRATCHDIR is None):
         import sys
-        sys.stderr.write('settings.py not found.  Please create %s\n'
+        sys.stderr.write('settings.py not found for module shciscf.  Please create %s\n'
                          % os.path.join(os.path.dirname(__file__), 'settings.py'))
         raise ImportError('settings.py not found')
 
diff --git a/pyscf/tdscf/__init__.py b/pyscf/tdscf/__init__.py
index cddaad4f0b..b642d353e9 100644
--- a/pyscf/tdscf/__init__.py
+++ b/pyscf/tdscf/__init__.py
@@ -54,19 +54,13 @@ def TDDFT(mf):
     if isinstance(mf, scf.uhf.UHF):
         mf = scf.addons.convert_to_uhf(mf)
         if getattr(mf, 'xc', None):
-            if mf._numint.libxc.is_hybrid_xc(mf.xc):
-                return uks.TDDFT(mf)
-            else:
-                return uks.TDDFTNoHybrid(mf)
+            return uks.tddft(mf)
         else:
             return uhf.TDHF(mf)
     else:
         mf = scf.addons.convert_to_rhf(mf)
         if getattr(mf, 'xc', None):
-            if mf._numint.libxc.is_hybrid_xc(mf.xc):
-                return rks.TDDFT(mf)
-            else:
-                return rks.TDDFTNoHybrid(mf)
+            return rks.tddft(mf)
         else:
             return rhf.TDHF(mf)
 
diff --git a/pyscf/tdscf/rks.py b/pyscf/tdscf/rks.py
index d6a685f272..ec66628f34 100644
--- a/pyscf/tdscf/rks.py
+++ b/pyscf/tdscf/rks.py
@@ -184,11 +184,20 @@ def __init__(self, mf):
         mf.xc = ''
         TDA.__init__(self, mf)
 
+
+def tddft(mf):
+    '''Driver to create TDDFT or TDDFTNoHybrid object'''
+    if mf._numint.libxc.is_hybrid_xc(mf.xc):
+        return TDDFT(mf)
+    else:
+        return TDDFTNoHybrid(mf)
+
 from pyscf import dft
 dft.rks.RKS.TDA           = dft.rks_symm.RKS.TDA           = lib.class_as_method(TDA)
 dft.rks.RKS.TDHF          = dft.rks_symm.RKS.TDHF          = None
-dft.rks.RKS.TDDFT         = dft.rks_symm.RKS.TDDFT         = lib.class_as_method(TDDFT)
-dft.rks.RKS.TDDFTNoHybrid = dft.rks_symm.RKS.TDDFTNoHybrid = lib.class_as_method(TDDFTNoHybrid)
+#dft.rks.RKS.TDDFT         = dft.rks_symm.RKS.TDDFT         = lib.class_as_method(TDDFT)
+#dft.rks.RKS.TDDFTNoHybrid = dft.rks_symm.RKS.TDDFTNoHybrid = lib.class_as_method(TDDFTNoHybrid)
+dft.rks.RKS.TDDFT         = dft.rks_symm.RKS.TDDFT         = tddft
 dft.rks.RKS.dTDA          = dft.rks_symm.RKS.dTDA          = lib.class_as_method(dTDA)
 dft.rks.RKS.dRPA          = dft.rks_symm.RKS.dRPA          = lib.class_as_method(dRPA)
 dft.roks.ROKS.TDA           = dft.rks_symm.ROKS.TDA           = None
diff --git a/pyscf/tdscf/uks.py b/pyscf/tdscf/uks.py
index fcb79c9e69..37812175ce 100644
--- a/pyscf/tdscf/uks.py
+++ b/pyscf/tdscf/uks.py
@@ -220,11 +220,19 @@ def __init__(self, mf):
         TDA.__init__(self, mf)
 
 
+def tddft(mf):
+    '''Driver to create TDDFT or TDDFTNoHybrid object'''
+    if mf._numint.libxc.is_hybrid_xc(mf.xc):
+        return TDDFT(mf)
+    else:
+        return TDDFTNoHybrid(mf)
+
 from pyscf import dft
 dft.uks.UKS.TDA           = dft.uks_symm.UKS.TDA           = lib.class_as_method(TDA)
 dft.uks.UKS.TDHF          = dft.uks_symm.UKS.TDHF          = None
-dft.uks.UKS.TDDFT         = dft.uks_symm.UKS.TDDFT         = lib.class_as_method(TDDFT)
-dft.uks.UKS.TDDFTNoHybrid = dft.uks_symm.UKS.TDDFTNoHybrid = lib.class_as_method(TDDFTNoHybrid)
+#dft.uks.UKS.TDDFT         = dft.uks_symm.UKS.TDDFT         = lib.class_as_method(TDDFT)
+#dft.uks.UKS.TDDFTNoHybrid = dft.uks_symm.UKS.TDDFTNoHybrid = lib.class_as_method(TDDFTNoHybrid)
+dft.uks.UKS.TDDFT         = dft.uks_symm.UKS.TDDFT         = tddft
 dft.uks.UKS.dTDA          = dft.uks_symm.UKS.dTDA          = lib.class_as_method(dTDA)
 dft.uks.UKS.dRPA          = dft.uks_symm.UKS.dRPA          = lib.class_as_method(dRPA)