LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00
Code Releases Activity

Save wf after selection

Browse Source
This commit is contained in:
Anthony Scemama 2021-01-20 12:35:15 +01:00
parent ec9b50373a
commit de43df3173
1 changed files with 3 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
src/cipsi/stochastic_cipsi.irp.f
View File

@ -104,7 +104,9 @@ subroutine run_stochastic_cipsi
! Add selected determinants
call copy_H_apply_buffer_to_wf()
! call save_wavefunction
if (save_wf_after_selection) then
call save_wavefunction
endif
PROVIDE psi_coef
PROVIDE psi_det