From de43df3173f8ab6f76ee8bdcf171f57948dc7e25 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 20 Jan 2021 12:35:15 +0100 Subject: [PATCH] Save wf after selection --- src/cipsi/stochastic_cipsi.irp.f | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/cipsi/stochastic_cipsi.irp.f b/src/cipsi/stochastic_cipsi.irp.f index bd0c6a80..77c6ed48 100644 --- a/src/cipsi/stochastic_cipsi.irp.f +++ b/src/cipsi/stochastic_cipsi.irp.f @@ -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