qp2/plugins/local/tc_int/cutc_module.F90

module cutc_module

  use, intrinsic :: iso_c_binding

  implicit none

  interface

    ! ---

    subroutine tc_int_c(nxBlocks, nyBlocks, nzBlocks,           &
                        blockxSize, blockySize, blockzSize,     &
                        n_grid1, n_grid2, n_ao, n_nuc, size_bh, &
                        r1, wr1, r2, wr2, rn,                   &
                        aos_data1, aos_data2,                   &
                        c_bh, m_bh, n_bh, o_bh,                 &
                        int2_grad1_u12_ao, int_2e_ao) bind(C, name = "tc_int_c")

      import c_int, c_double, c_ptr
      integer(c_int), intent(in), value :: nxBlocks, blockxSize
      integer(c_int), intent(in), value :: nyBlocks, blockySize
      integer(c_int), intent(in), value :: nzBlocks, blockzSize
      integer(c_int), intent(in), value :: n_grid1, n_grid2
      integer(c_int), intent(in), value :: n_ao
      integer(c_int), intent(in), value :: n_nuc
      integer(c_int), intent(in), value :: size_bh
      real(c_double), intent(in)        :: r1(3,n_grid1), wr1(n_grid1)
      real(c_double), intent(in)        :: r2(3,n_grid2), wr2(n_grid2)
      real(c_double), intent(in)        :: rn(3,n_nuc)
      real(c_double), intent(in)        :: aos_data1(n_grid1,n_ao,4)
      real(c_double), intent(in)        :: aos_data2(n_grid2,n_ao,4)
      real(c_double), intent(in)        :: c_bh(size_bh,n_nuc)
      integer(c_int), intent(in)        :: m_bh(size_bh,n_nuc)
      integer(c_int), intent(in)        :: n_bh(size_bh,n_nuc)
      integer(c_int), intent(in)        :: o_bh(size_bh,n_nuc)
      real(c_double), intent(out)       :: int2_grad1_u12_ao(n_ao,n_ao,n_grid1,4)
      real(c_double), intent(out)       :: int_2e_ao(n_ao,n_ao,n_ao,n_ao)

    end subroutine tc_int_c

    ! ---

    subroutine deb_int2_grad1_u12_ao(nxBlocks, nyBlocks, nzBlocks, blockxSize, blockySize, blockzSize, &
                                     n_grid1, n_grid2, n_ao, n_nuc, size_bh,             &
                                     r1, r2, wr2, rn, aos_data2, c_bh, m_bh, n_bh, o_bh, &
                                     int2_grad1_u12_ao) bind(C, name ="deb_int2_grad1_u12_ao")

      import c_int, c_double, c_ptr
      integer(c_int), intent(in), value :: nxBlocks, blockxSize
      integer(c_int), intent(in), value :: nyBlocks, blockySize
      integer(c_int), intent(in), value :: nzBlocks, blockzSize
      integer(c_int), intent(in), value :: n_grid1, n_grid2
      integer(c_int), intent(in), value :: n_ao
      integer(c_int), intent(in), value :: n_nuc
      integer(c_int), intent(in), value :: size_bh
      real(c_double), intent(in)        :: r1(3,n_grid1)
      real(c_double), intent(in)        :: r2(3,n_grid2)
      real(c_double), intent(in)        :: wr2(n_grid2)
      real(c_double), intent(in)        :: rn(3,n_nuc)
      real(c_double), intent(in)        :: aos_data2(n_grid2,n_ao,4)
      real(c_double), intent(in)        :: c_bh(size_bh,n_nuc)
      integer(c_int), intent(in)        :: m_bh(size_bh,n_nuc)
      integer(c_int), intent(in)        :: n_bh(size_bh,n_nuc)
      integer(c_int), intent(in)        :: o_bh(size_bh,n_nuc)
      real(c_double), intent(out)       :: int2_grad1_u12_ao(n_ao,n_ao,n_grid1,4)

    end subroutine deb_int2_grad1_u12_ao

    ! ---

    subroutine deb_int_2e_ao(nxBlocks, nyBlocks, nzBlocks,           &
                             blockxSize, blockySize, blockzSize,     &
                             n_grid1, n_grid2, n_ao, n_nuc, size_bh, &
                             r1, wr1, r2, wr2, rn,                   &
                             aos_data1, aos_data2,                   &
                             c_bh, m_bh, n_bh, o_bh,                 &
                             int2_grad1_u12_ao, int_2e_ao) bind(C, name = "deb_int_2e_ao")

      import c_int, c_double, c_ptr
      integer(c_int), intent(in), value :: nxBlocks, blockxSize
      integer(c_int), intent(in), value :: nyBlocks, blockySize
      integer(c_int), intent(in), value :: nzBlocks, blockzSize
      integer(c_int), intent(in), value :: n_grid1, n_grid2
      integer(c_int), intent(in), value :: n_ao
      integer(c_int), intent(in), value :: n_nuc
      integer(c_int), intent(in), value :: size_bh
      real(c_double), intent(in)        :: r1(3,n_grid1), wr1(n_grid1)
      real(c_double), intent(in)        :: r2(3,n_grid2), wr2(n_grid2)
      real(c_double), intent(in)        :: rn(3,n_nuc)
      real(c_double), intent(in)        :: aos_data1(n_grid1,n_ao,4)
      real(c_double), intent(in)        :: aos_data2(n_grid2,n_ao,4)
      real(c_double), intent(in)        :: c_bh(size_bh,n_nuc)
      integer(c_int), intent(in)        :: m_bh(size_bh,n_nuc)
      integer(c_int), intent(in)        :: n_bh(size_bh,n_nuc)
      integer(c_int), intent(in)        :: o_bh(size_bh,n_nuc)
      real(c_double), intent(out)       :: int2_grad1_u12_ao(n_ao,n_ao,n_grid1,4)
      real(c_double), intent(out)       :: int_2e_ao(n_ao,n_ao,n_ao,n_ao)

    end subroutine deb_int_2e_ao

    ! ---

  end interface

end module cutc_module