! ---

program tc_natorb_bi_ortho

  BEGIN_DOC
  ! TODO : Put the documentation of the program here
  END_DOC

  implicit none

  print *, 'Hello world'

  my_grid_becke = .True.
  PROVIDE tc_grid1_a tc_grid1_r
  my_n_pt_r_grid = tc_grid1_r
  my_n_pt_a_grid = tc_grid1_a
  touch  my_grid_becke my_n_pt_r_grid my_n_pt_a_grid

  read_wf = .True.
  touch read_wf

  call print_energy_and_mos()
  call save_tc_natorb()
  !call minimize_tc_orb_angles()

end

! ---
 
subroutine save_tc_natorb()

  implicit none

  print*,'Saving the natorbs '

  provide natorb_tc_leigvec_ao natorb_tc_reigvec_ao

  call ezfio_set_bi_ortho_mos_mo_l_coef(natorb_tc_leigvec_ao)
  call ezfio_set_bi_ortho_mos_mo_r_coef(natorb_tc_reigvec_ao)
  call save_ref_determinant_nstates_1()
  call ezfio_set_determinants_read_wf(.False.)

end

! ---
 
subroutine save_ref_determinant_nstates_1()

   use bitmasks
   implicit none
   double precision :: buffer(1,N_states)

   buffer = 0.d0
   buffer(1,1) = 1.d0
   call save_wavefunction_general(1, 1, ref_bitmask, 1, buffer)

end