old_contents: #!/usr/bin/env python
  #
  # Author: Qiming Sun <osirpt.sun@gmail.com>
  #
  
  from pyscf import gto, scf, mcscf
  
  '''
  Use project_init_guess function to format the CASSCF initial guess orbitals
  
  CASSCF solver can use any orbital as initial guess, no matter how and where
  you get the orbital coeffcients.  It can even be the orbitals of different
  molecule.
  '''
  
  mol1 = gto.M(
      atom = 'C 0 0 0; C 0 0 1.2',
      basis = '6-31g')
  mf = scf.RHF(mol1)
  mf.kernel()
  
  mo_init_guess = mf.mo_coeff
  
  #############################################################
  #
  # Use the inital guess from mol1 system for mol2 CASSCF
  #
  #############################################################
  mol2 = gto.M(
      atom = 'O 0 0 0; O 0 0 1.2',
      basis = 'ccpvdz',
      spin = 2)
  mf = scf.RHF(mol2)
  mf.kernel()
  mc = mcscf.CASSCF(mf, 4, 4)
  mo = mcscf.project_init_guess(mc, mo_init_guess, mol1)
  mc.verbose = 4
  mc.kernel(mo)
  print('E(CAS) = %.12f, ref = -149.622580905034' % mc.e_tot)
  
  
new_contents: #!/usr/bin/env python
  #
  # Author: Qiming Sun <osirpt.sun@gmail.com>
  #
  
  from pyscf import gto, scf, mcscf
  
  '''
  Use project_init_guess function to format the CASSCF initial guess orbitals
  
  CASSCF solver can use any orbital as initial guess, no matter how and where
  you get the orbital coeffcients.  It can even be the orbitals of different
  molecule.
  '''
  
  mol1 = gto.M(
      atom = 'C 0 0 0; C 0 0 1.2',
      basis = '6-31g')
  mf = scf.RHF(mol1)
  mf.kernel()
  
  mo_init_guess = mf.mo_coeff
  
  #############################################################
  #
  # Use the inital guess from mol1 system for mol2 CASSCF
  #
  #############################################################
  mol2 = gto.M(
      atom = 'C 0 0 0; C 0 0 1.2',
      basis = 'ccpvdz',
      spin = 2)
  mf = scf.RHF(mol2)
  mf.kernel()
  mc = mcscf.CASSCF(mf, 4, 4)
  mo = mcscf.project_init_guess(mc, mo_init_guess, mol1)
  mc.verbose = 4
  mc.kernel(mo)
  print('E(CAS) = %.12f, ref = -149.622580905034' % mc.e_tot)
  
  
subject: Fix mcscf example (issue #668)