From bb0c3e391ca041884e528c5c5c3b39cbb75c3909 Mon Sep 17 00:00:00 2001 From: v1j4y Date: Thu, 15 Dec 2022 18:54:47 +0100 Subject: [PATCH] Fixed act_bitmask. --- src/csf/configuration_CI_sigma_helpers.irp.f | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/csf/configuration_CI_sigma_helpers.irp.f b/src/csf/configuration_CI_sigma_helpers.irp.f index 19533bd5..578a9153 100644 --- a/src/csf/configuration_CI_sigma_helpers.irp.f +++ b/src/csf/configuration_CI_sigma_helpers.irp.f @@ -875,7 +875,7 @@ use bitmasks ndiffDOMO = 0 nxordiffSOMODOMO = 0 do ii=1,N_int - diffDOMO = IEOR(Icfg(ii,2),iand(act_bitmask(ii,1),psi_configuration(ii,2,k))) + diffDOMO = IEOR(Icfg(ii,2),iand(act_bitmask(ii,2),psi_configuration(ii,2,k))) xordiffSOMODOMO = IEOR(diffSOMO,diffDOMO) ndiffDOMO += POPCNT(diffDOMO) nxordiffSOMODOMO += POPCNT(xordiffSOMODOMO) @@ -1221,7 +1221,7 @@ END_PROVIDER ndiffDOMO = 0 nxordiffSOMODOMO = 0 do ii=1,N_int - diffDOMO = IEOR(Icfg(ii,2),iand(act_bitmask(ii,1),psi_configuration(ii,2,k))) + diffDOMO = IEOR(Icfg(ii,2),iand(act_bitmask(ii,2),psi_configuration(ii,2,k))) xordiffSOMODOMO = IEOR(diffSOMO,diffDOMO) ndiffDOMO += POPCNT(diffDOMO) nxordiffSOMODOMO += POPCNT(xordiffSOMODOMO)