mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-26 14:23:43 +01:00
19 lines
339 B
Fortran
19 lines
339 B
Fortran
program osoci_program
|
|
implicit none
|
|
do_it_perturbative = .True.
|
|
touch do_it_perturbative
|
|
call FOBOCI_lmct_mlct_old_thr
|
|
call provide_all_the_rest
|
|
end
|
|
subroutine provide_all_the_rest
|
|
implicit none
|
|
integer :: i
|
|
call update_one_body_dm_mo
|
|
call set_lmct_mlct_to_psi_det
|
|
call diagonalize_CI
|
|
call save_wavefunction
|
|
|
|
|
|
end
|
|
|