10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-27 15:42:41 +02:00
QuantumPackage/src/tc_bi_ortho/print_tc_energy.irp.f

33 lines
486 B
Fortran
Raw Normal View History

2023-04-03 14:55:02 +02:00
program print_tc_energy
2023-06-24 18:54:32 +02:00
2023-04-03 14:55:02 +02:00
BEGIN_DOC
2023-06-24 18:54:32 +02:00
! TODO : Put the documentation of the program here
2023-04-03 14:55:02 +02:00
END_DOC
2023-06-24 18:54:32 +02:00
implicit none
2023-04-03 14:55:02 +02:00
print *, 'Hello world'
my_grid_becke = .True.
2023-06-24 18:54:32 +02:00
!my_n_pt_r_grid = 30
!my_n_pt_a_grid = 50
2023-06-28 18:57:41 +02:00
my_n_pt_r_grid = 100
my_n_pt_a_grid = 170
2023-06-24 18:54:32 +02:00
!my_n_pt_r_grid = 100
!my_n_pt_a_grid = 266
2023-04-03 14:55:02 +02:00
read_wf = .True.
touch read_wf
2023-05-06 18:25:06 +02:00
PROVIDE j1b_type
print*, 'j1b_type = ', j1b_type
2023-06-24 18:54:32 +02:00
touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
call write_tc_energy()
2023-04-03 14:55:02 +02:00
end