LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-09 06:53:38 +01:00
Code Releases Activity

changed n_states in psi_r_l_prov.irp.f
Some checks failed
continuous-integration/drone/push Build is failing
Details

Browse Source
This commit is contained in:
eginer 2023-02-02 17:13:53 +01:00
parent 9818090948
commit 6d5d8701c8
1 changed files with 1 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
src/tc_bi_ortho/psi_r_l_prov.irp.f
View File

@ -212,10 +212,9 @@ subroutine routine_save_right_bi_ortho
implicit none implicit none
double precision, allocatable :: coef_tmp(:,:) double precision, allocatable :: coef_tmp(:,:)
integer :: i integer :: i
N_states = 1
allocate(coef_tmp(N_det, N_states)) allocate(coef_tmp(N_det, N_states))
do i = 1, N_det do i = 1, N_det
coef_tmp(i,1) = psi_r_coef_bi_ortho(i,1) coef_tmp(i,1:N_states) = psi_r_coef_bi_ortho(i,1:N_states)
enddo enddo
call save_wavefunction_general_unormalized(N_det,N_states,psi_det,size(coef_tmp,1),coef_tmp(1,1)) call save_wavefunction_general_unormalized(N_det,N_states,psi_det,size(coef_tmp,1),coef_tmp(1,1))
end end