BEGIN_PROVIDER [ integer, mo_closed_num ]
  implicit none

 BEGIN_DOC
! Number of closed shell Molecular orbitals
 END_DOC

!$OMP CRITICAL (qcio_critical)
 call qcio_get_mo_num_closed(mo_closed_num)
!$OMP END CRITICAL (qcio_critical)
 ASSERT (mo_closed_num >= 0)
 ASSERT (mo_closed_num <= elec_alpha_num)
 ASSERT (mo_closed_num <= elec_beta_num)

END_PROVIDER

BEGIN_PROVIDER [ integer, mo_active_num ]
  implicit none

 BEGIN_DOC
! Number of active Molecular orbitals
 END_DOC

!$OMP CRITICAL (qcio_critical)
 call qcio_get_mo_num_active(mo_active_num)
!$OMP END CRITICAL (qcio_critical)
 ASSERT (mo_active_num >= 0)

END_PROVIDER

BEGIN_PROVIDER [ integer, mo_num ]
  implicit none

 BEGIN_DOC
! Number of Molecular orbitals
 END_DOC

 mo_num = mo_closed_num + mo_active_num
 ASSERT(mo_num > 0)

END_PROVIDER


BEGIN_PROVIDER [ real, mo_coef, (ao_num,mo_num) ]
  implicit none

 BEGIN_DOC
! Molecular orbital coefficients
 END_DOC

  integer :: i, j
  double precision :: buffer(ao_num,mo_tot_num)

!$OMP CRITICAL (qcio_critical)
  call qcio_get_mo_matrix(buffer)
!$OMP END CRITICAL (qcio_critical)
  do j=1,mo_num
   do i=1,ao_num
    mo_coef(i,j) = buffer(i,j)
   enddo
  enddo

END_PROVIDER

BEGIN_PROVIDER [ logical, mo_non_zero, (mo_num,ao_num) ]
 implicit none

 BEGIN_DOC
 ! Values where the mo coefficients are /= 0.
 END_DOC

 integer :: i, j, k

 do j=1,ao_num
  do k=1,mo_num
   mo_non_zero(k,j) = mo_coef_transp(j,k) /= 0.
  enddo
 enddo

END_PROVIDER

BEGIN_PROVIDER [ real, mo_coef_transp, (mo_num,ao_num) ]
 implicit none

 BEGIN_DOC
 ! Transposed array of mo coefficients
 END_DOC

 integer :: i, j, k

 do j=1,ao_num
  do k=1,mo_num
   mo_coef_transp(k,j) = mo_coef(j,k)
  enddo
 enddo

END_PROVIDER

BEGIN_PROVIDER  [ logical, mo_is_closed, (mo_num) ]
&BEGIN_PROVIDER [ logical, mo_is_active, (mo_num) ]
  implicit none

  BEGIN_DOC
! mo_is_closed : True if mo(i) is a closed-shell
! mo_is_active : True if mo(i) is an active orbital
  END_DOC

  character :: buffer(mo_tot_num)

  integer :: i
  do i=1,mo_num
   if ( buffer(i) == 'c' ) then
     mo_is_closed(i) = .True.
     mo_is_active(i) = .False.
   else if ( buffer(i) == 'a' ) then
     mo_is_closed(i) = .False.
     mo_is_active(i) = .True.
   else
     mo_is_closed(i) = .False.
     mo_is_active(i) = .False.
   endif
  enddo
END_PROVIDER

BEGIN_PROVIDER [ integer, mo_tot_num ]

  BEGIN_DOC
! Total number of MOs in the QCIO file
  END_DOC
!$OMP CRITICAL (qcio_critical)
  call qcio_get_mo_num_orb_tot(mo_tot_num)
!$OMP END CRITICAL (qcio_critical)
  ASSERT (mo_tot_num > 0)

END_PROVIDER