10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-19 12:32:30 +01:00
QuantumPackage/plugins/local/tc_bi_ortho/print_tc_energy.irp.f

33 lines
549 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'
2023-06-28 18:57:41 +02:00
2023-07-02 21:49:25 +02:00
my_grid_becke = .True.
PROVIDE tc_grid1_a tc_grid1_r
my_n_pt_r_grid = tc_grid1_r
my_n_pt_a_grid = tc_grid1_a
touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
2023-06-24 18:54:32 +02:00
2023-04-03 14:55:02 +02:00
read_wf = .True.
touch read_wf
2023-05-06 18:25:06 +02:00
2024-01-17 06:11:06 +01:00
PROVIDE j2e_type
PROVIDE j1e_type
PROVIDE env_type
print *, ' j2e_type = ', j2e_type
print *, ' j1e_type = ', j1e_type
print *, ' env_type = ', env_type
2023-06-24 18:54:32 +02:00
call write_tc_energy()
2023-04-03 14:55:02 +02:00
end