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39 lines
1.2 KiB
Fortran
39 lines
1.2 KiB
Fortran
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! ---
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module gpu_module
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use iso_c_binding
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implicit none
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interface
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subroutine tc_int_bh(n_grid1, n_grid2, ao_num, n_nuc, &
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size_bh, m_bh, n_bh, o_bh, c_bh, &
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r1, r2, rn, wr1, wr2, aos_data1, &
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aos_data2, int2_grad1_u12, tc_int_2e_ao) bind(C)
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import c_int, c_double
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integer(c_int), intent(in), value :: n_grid1, n_grid2, ao_num, n_nuc, size_bh
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integer(c_int), intent(in) :: m_bh(size_bh,n_nuc)
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integer(c_int), intent(in) :: n_bh(size_bh,n_nuc)
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integer(c_int), intent(in) :: o_bh(size_bh,n_nuc)
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real(c_double), intent(in) :: c_bh(size_bh,n_nuc)
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real(c_double), intent(in) :: r1(n_grid1,3), r2(n_grid2,3)
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real(c_double), intent(in) :: rn(n_nuc,3)
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real(c_double), intent(in) :: wr1(n_grid1), wr2(n_grid2)
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real(c_double), intent(in) :: aos_data1(n_grid1,ao_num,4), aos_data2(n_grid2,ao_num,4)
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real(c_double), intent(out) :: int2_grad1_u12(n_grid1,ao_num,ao_num,4)
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real(c_double), intent(out) :: tc_int_2e_ao(ao_num,ao_num,ao_num,ao_num)
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end subroutine
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end interface
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end module
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! ---
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