From d11b7365cbd6c47718e84b908a5226dfb95d2f47 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 14 Jun 2022 18:15:53 +0200 Subject: [PATCH] Update itermax with CSF --- src/davidson/diagonalization_hcsf_dressed.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/davidson/diagonalization_hcsf_dressed.irp.f b/src/davidson/diagonalization_hcsf_dressed.irp.f index 5f8aa4c9..7aaaa842 100644 --- a/src/davidson/diagonalization_hcsf_dressed.irp.f +++ b/src/davidson/diagonalization_hcsf_dressed.irp.f @@ -124,7 +124,7 @@ subroutine davidson_diag_csf_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N stop -1 endif - itermax = max(2,min(davidson_sze_max, sze/N_st_diag))+1 + itermax = max(2,min(davidson_sze_max, sze_csf/N_st_diag))+1 itertot = 0 if (state_following) then