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qp2/src/tc_bi_ortho/print_tc_energy.irp.f

33 lines
486 B
Fortran
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program print_tc_energy
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BEGIN_DOC
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! TODO : Put the documentation of the program here
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END_DOC
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implicit none
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print *, 'Hello world'
my_grid_becke = .True.
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!my_n_pt_r_grid = 30
!my_n_pt_a_grid = 50
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my_n_pt_r_grid = 100
my_n_pt_a_grid = 170
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!my_n_pt_r_grid = 100
!my_n_pt_a_grid = 266
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read_wf = .True.
touch read_wf
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PROVIDE j1b_type
print*, 'j1b_type = ', j1b_type
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touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
call write_tc_energy()
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end