From 7560e2762dd01ddab2f150484f6522d73b9cf1c1 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sat, 13 Feb 2021 16:20:03 +0100 Subject: [PATCH] Fix bug with dominant_cfg --- src/determinants/configurations.irp.f | 11 ++++++++--- 1 file changed, 8 insertions(+), 3 deletions(-) diff --git a/src/determinants/configurations.irp.f b/src/determinants/configurations.irp.f index 0171adf4..7e2881b4 100644 --- a/src/determinants/configurations.irp.f +++ b/src/determinants/configurations.irp.f @@ -547,9 +547,14 @@ BEGIN_PROVIDER [ integer, dominant_cfg, (N_states) ] ! Configuration of the determinants with the largest weight, for each state END_DOC integer :: k - do k=1,N_states - dominant_cfg(k) = det_to_configuration(dominant_det(k)) - enddo + dominant_cfg(1) = det_to_configuration(dominant_det(1)) + if (N_det < N_states) then + dominant_cfg(:) = dominant_cfg(1) + else + do k=1,N_states + dominant_cfg(k) = det_to_configuration(dominant_det(k)) + enddo + endif END_PROVIDER