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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print *, 'Hello world'
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my_grid_becke = .True.
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2023-06-24 18:54:32 +02:00
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!my_n_pt_r_grid = 30
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!my_n_pt_a_grid = 50
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my_n_pt_r_grid = 100
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my_n_pt_a_grid = 170
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!my_n_pt_r_grid = 100
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!my_n_pt_a_grid = 266
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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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PROVIDE j1b_type
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print*, 'j1b_type = ', j1b_type
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2023-06-24 18:54:32 +02:00
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touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
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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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