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https://github.com/QuantumPackage/qp2.git
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59 lines
1.1 KiB
Fortran
59 lines
1.1 KiB
Fortran
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! ---
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program write_ao_2e_tc_integ
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implicit none
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PROVIDE j1e_type
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PROVIDE j2e_type
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print *, ' j1e_type = ', j1e_type
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print *, ' j2e_type = ', j2e_type
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my_grid_becke = .True.
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PROVIDE tc_grid1_a tc_grid1_r
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my_n_pt_r_grid = tc_grid1_r
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my_n_pt_a_grid = tc_grid1_a
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touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
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call write_int(6, my_n_pt_r_grid, 'radial external grid over')
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call write_int(6, my_n_pt_a_grid, 'angular external grid over')
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if(tc_integ_type .eq. "numeric") then
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my_extra_grid_becke = .True.
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PROVIDE tc_grid2_a tc_grid2_r
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my_n_pt_r_extra_grid = tc_grid2_r
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my_n_pt_a_extra_grid = tc_grid2_a
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touch my_extra_grid_becke my_n_pt_r_extra_grid my_n_pt_a_extra_grid
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call write_int(6, my_n_pt_r_extra_grid, 'radial internal grid over')
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call write_int(6, my_n_pt_a_extra_grid, 'angular internal grid over')
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endif
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call main()
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end
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! ---
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subroutine main()
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implicit none
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PROVIDE io_tc_integ
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print*, 'io_tc_integ = ', io_tc_integ
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if(io_tc_integ .ne. "Write") then
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print*, 'io_tc_integ != Write'
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print*, io_tc_integ
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stop
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endif
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PROVIDE ao_two_e_tc_tot
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end
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! ---
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