mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-06-22 13:12:23 +02:00
13 lines
307 B
Fortran
13 lines
307 B
Fortran
|
program print_angles
|
||
|
|
implicit none
|
||
|
|
my_grid_becke = .True.
|
||
|
|
my_n_pt_r_grid = 30
|
||
|
|
my_n_pt_a_grid = 50
|
||
|
|
! my_n_pt_r_grid = 10 ! small grid for quick debug
|
||
|
|
! my_n_pt_a_grid = 14 ! small grid for quick debug
|
||
|
|
touch my_n_pt_r_grid my_n_pt_a_grid
|
||
|
|
! call sort_by_tc_fock
|
||
|
|
call minimize_tc_orb_angles
|
||
|
|
end
|
||
|
|
|