! ---

BEGIN_PROVIDER[double precision, aos_in_r_array, (ao_num,n_points_final_grid)]

  BEGIN_DOC
  ! aos_in_r_array(i,j) = value of the ith ao on the jth grid point
  END_DOC

  implicit none
  integer          :: i

  !$OMP PARALLEL DO               &
  !$OMP DEFAULT (NONE)            &
  !$OMP PRIVATE (i) &
  !$OMP SHARED(aos_in_r_array,n_points_final_grid,final_grid_points)
  do i = 1, n_points_final_grid
    call give_all_aos_at_r(final_grid_points(1,i), aos_in_r_array(1,i))
  enddo
  !$OMP END PARALLEL DO

END_PROVIDER

! ---

BEGIN_PROVIDER[double precision, aos_in_r_array_transp, (n_points_final_grid,ao_num)]

  BEGIN_DOC
  ! aos_in_r_array_transp(i,j) = value of the jth ao on the ith grid point
  END_DOC

  implicit none
  integer          :: i, j
  double precision :: aos_array(ao_num), r(3)

  do i = 1, n_points_final_grid
    do j = 1, ao_num
      aos_in_r_array_transp(i,j) = aos_in_r_array(j,i)
    enddo
  enddo

END_PROVIDER

! ---

BEGIN_PROVIDER[double precision, aos_grad_in_r_array, (ao_num,n_points_final_grid,3)]

  BEGIN_DOC
  !
  ! aos_grad_in_r_array(i,j,k) = value of the kth component of the gradient of ith ao on the jth grid point
  !
  ! k = 1 : x, k= 2, y, k  3, z
  !
  END_DOC

  implicit none
  integer          :: i, j, m
  double precision :: r(3)
  double precision, allocatable :: aos_grad_array(:,:), aos_array(:)

  !$OMP PARALLEL                                   &
  !$OMP DEFAULT (NONE)                             &
  !$OMP PRIVATE (i,j,m,r,aos_array,aos_grad_array) &
  !$OMP SHARED(aos_grad_in_r_array,n_points_final_grid,ao_num,final_grid_points)
  allocate(aos_grad_array(3,ao_num), aos_array(ao_num))

  !$OMP DO
  do i = 1, n_points_final_grid
    call give_all_aos_and_grad_at_r(final_grid_points(1,i),aos_array,aos_grad_array)
    do m = 1, 3
      do j = 1, ao_num
        aos_grad_in_r_array(j,i,m) = aos_grad_array(m,j)
      enddo
    enddo
  enddo
  !$OMP END DO
  deallocate(aos_grad_array,aos_array)
  !$OMP END PARALLEL

END_PROVIDER

! ---


 BEGIN_PROVIDER[double precision, aos_grad_in_r_array_transp, (3,ao_num,n_points_final_grid)]
 implicit none
 BEGIN_DOC
 ! aos_grad_in_r_array_transp(k,i,j)   = value of the kth component of the gradient of jth ao on the ith grid point
 !
 ! k = 1 : x, k= 2, y, k  3, z
 END_DOC
 integer :: i,j,m
 double precision :: aos_array(ao_num), r(3)
 double precision :: aos_grad_array(3,ao_num)
 do i = 1, n_points_final_grid
  do m = 1, 3
   do j = 1, ao_num
    aos_grad_in_r_array_transp(m,j,i) = aos_grad_in_r_array(j,i,m)
   enddo
  enddo
 enddo
 END_PROVIDER

 BEGIN_PROVIDER [double precision, aos_lapl_in_r_array_transp, (ao_num, n_points_final_grid,3)]
 implicit none
 integer :: i,j,m
 do i = 1, n_points_final_grid
  do j = 1, ao_num
   do m = 1, 3
    aos_lapl_in_r_array_transp(j,i,m) =  aos_lapl_in_r_array(m,j,i)
   enddo
  enddo
 enddo
 END_PROVIDER

 BEGIN_PROVIDER [double precision, aos_lapl_in_r_array, (3,ao_num,n_points_final_grid)]
 implicit none
 BEGIN_DOC
 ! aos_lapl_in_r_array(i,j,k)   = value of the kth component of the laplacian of jth ao on the ith grid point
 !
 ! k = 1 : x, k= 2, y, k  3, z
 END_DOC
 integer :: i,j,m
 double precision, allocatable :: aos_lapl_array(:,:), aos_grad_array(:,:), aos_array(:)

 !$OMP PARALLEL        &
 !$OMP DEFAULT (NONE)  &
 !$OMP PRIVATE (i,aos_array,aos_grad_array,aos_lapl_array,j,m) &
 !$OMP SHARED(aos_lapl_in_r_array,n_points_final_grid,ao_num,final_grid_points)
 allocate( aos_array(ao_num), aos_grad_array(3,ao_num), aos_lapl_array(3,ao_num))
 !$OMP DO 
 do i = 1, n_points_final_grid
  call give_all_aos_and_grad_and_lapl_at_r(final_grid_points(1,i),aos_array,aos_grad_array,aos_lapl_array)
  do j = 1, ao_num
   do m = 1, 3
    aos_lapl_in_r_array(m,j,i) = aos_lapl_array(m,j)
   enddo
  enddo
 enddo
 !$OMP END DO
 deallocate( aos_array, aos_grad_array, aos_lapl_array)
 !$OMP END PARALLEL
 END_PROVIDER

 BEGIN_PROVIDER[double precision, aos_grad_in_r_array_transp_bis, (n_points_final_grid,ao_num,3)]
 implicit none
 BEGIN_DOC
! Transposed gradients
!
 END_DOC
 integer :: i,j,m
 double precision :: aos_array(ao_num), r(3)
 double precision :: aos_grad_array(3,ao_num)
 do m = 1, 3
  do j = 1, ao_num
   do i = 1, n_points_final_grid
    aos_grad_in_r_array_transp_bis(i,j,m) = aos_grad_in_r_array(j,i,m)
   enddo
  enddo
 enddo
 END_PROVIDER


 BEGIN_PROVIDER[double precision, aos_grad_in_r_array_transp_3, (3,n_points_final_grid,ao_num)]
 implicit none
 BEGIN_DOC
! Transposed gradients
!
 END_DOC
 integer :: i,j,m
 double precision :: aos_array(ao_num), r(3)
 double precision :: aos_grad_array(3,ao_num)
 do m = 1, 3
  do j = 1, ao_num
   do i = 1, n_points_final_grid
    aos_grad_in_r_array_transp_3(m,i,j) = aos_grad_in_r_array(j,i,m)
   enddo
  enddo
 enddo
 END_PROVIDER

 BEGIN_PROVIDER[double precision, aos_in_r_array_extra, (ao_num,n_points_extra_final_grid)]
 implicit none
 BEGIN_DOC
 ! aos_in_r_array_extra(i,j)        = value of the ith ao on the jth grid point of the EXTRA grid
 END_DOC
 integer :: i
 !$OMP PARALLEL DO &
 !$OMP DEFAULT (NONE)  PRIVATE (i) &
 !$OMP SHARED(aos_in_r_array_extra,n_points_extra_final_grid,final_grid_points_extra)
 do i = 1, n_points_extra_final_grid
  call give_all_aos_at_r(final_grid_points_extra(1,i),aos_in_r_array_extra(1,i))
 enddo
 !$OMP END PARALLEL DO

 END_PROVIDER


! ---

BEGIN_PROVIDER[double precision, aos_in_r_array_extra_transp, (n_points_extra_final_grid,ao_num)]

  BEGIN_DOC
  ! aos_in_r_array_extra_transp(i,j) = value of the jth ao on the ith grid point of the EXTRA grid
  END_DOC

  implicit none
  integer          :: i, j
  double precision :: aos_array(ao_num), r(3)

  do i = 1, n_points_extra_final_grid
    do j = 1, ao_num
      aos_in_r_array_extra_transp(i,j) = aos_in_r_array_extra(j,i)
    enddo
  enddo

END_PROVIDER

! ---

BEGIN_PROVIDER[double precision, aos_grad_in_r_array_extra, (ao_num,n_points_extra_final_grid,3)]

  implicit none
  integer          :: i, j, m
  double precision, allocatable :: aos_array(:), aos_grad_array(:,:)


  !$OMP PARALLEL                                   &
  !$OMP DEFAULT (NONE)                             &
  !$OMP PRIVATE (i,j,m,aos_array,aos_grad_array) &
  !$OMP SHARED(aos_grad_in_r_array_extra,n_points_extra_final_grid,ao_num,final_grid_points_extra)
  allocate(aos_array(ao_num), aos_grad_array(3,ao_num))
  !$OMP DO
  do i = 1, n_points_extra_final_grid
    call give_all_aos_and_grad_at_r(final_grid_points_extra(1,i), aos_array, aos_grad_array)
    do m = 1, 3
      do j = 1, ao_num
        aos_grad_in_r_array_extra(j,i,m) = aos_grad_array(m,j)
      enddo
    enddo
  enddo
  !$OMP END DO
  deallocate(aos_array,aos_grad_array)
  !$OMP END PARALLEL

END_PROVIDER

! ---