2023-04-03 14:55:02 +02:00
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program print_tc_energy
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2023-06-24 18:54:32 +02:00
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2023-04-03 14:55:02 +02:00
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BEGIN_DOC
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2023-06-24 18:54:32 +02:00
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! TODO : Put the documentation of the program here
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2023-04-03 14:55:02 +02:00
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END_DOC
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2023-06-24 18:54:32 +02:00
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implicit none
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2023-04-03 14:55:02 +02:00
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read_wf = .True.
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touch read_wf
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2023-05-06 18:25:06 +02:00
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2024-05-01 20:25:01 +02:00
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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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2024-05-02 17:18:45 +02:00
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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 j2e_type
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PROVIDE j1e_type
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PROVIDE env_type
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print *, ' j2e_type = ', j2e_type
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print *, ' j1e_type = ', j1e_type
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print *, ' env_type = ', env_type
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2023-06-24 18:54:32 +02:00
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call write_tc_energy()
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2023-04-03 14:55:02 +02:00
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end
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