mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-15 00:38:34 +02:00
14 lines
341 B
Fortran
14 lines
341 B
Fortran
program print_angles
|
|
implicit none
|
|
BEGIN_DOC
|
|
! program that minimizes the angle between left- and right-orbitals when degeneracies are found in the TC-Fock matrix
|
|
END_DOC
|
|
my_grid_becke = .True.
|
|
my_n_pt_r_grid = 30
|
|
my_n_pt_a_grid = 50
|
|
touch my_n_pt_r_grid my_n_pt_a_grid
|
|
! call sort_by_tc_fock
|
|
call minimize_tc_orb_angles
|
|
end
|
|
|