mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-22 11:33:29 +01:00
37 lines
664 B
Fortran
37 lines
664 B
Fortran
|
|
! ---
|
|
|
|
program tc_cisd_sc2
|
|
|
|
BEGIN_DOC
|
|
! TODO : Put the documentation of the program here
|
|
END_DOC
|
|
|
|
implicit none
|
|
|
|
print *, 'Hello world'
|
|
|
|
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
|
|
|
|
read_wf = .True.
|
|
touch read_wf
|
|
|
|
call test
|
|
|
|
end
|
|
|
|
! ---
|
|
|
|
subroutine test()
|
|
implicit none
|
|
! double precision, allocatable :: dressing_dets(:),e_corr_dets(:)
|
|
! allocate(dressing_dets(N_det),e_corr_dets(N_det))
|
|
! e_corr_dets = 0.d0
|
|
! call get_cisd_sc2_dressing(psi_det,e_corr_dets,N_det,dressing_dets)
|
|
provide eigval_tc_cisd_sc2_bi_ortho
|
|
end
|