From b8a3c977892356ad409ea9dbffefe24cf5e87c8e Mon Sep 17 00:00:00 2001 From: edoapra Date: Mon, 22 May 2023 14:36:03 -0700 Subject: [PATCH] fix for SMD issue https://github.com/nwchemgit/nwchem/issues/776#issuecomment-1557831061 --- src/solvation/cosmo_initialize.F | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/src/solvation/cosmo_initialize.F b/src/solvation/cosmo_initialize.F index 0aecec234e..7835729f12 100644 --- a/src/solvation/cosmo_initialize.F +++ b/src/solvation/cosmo_initialize.F @@ -341,21 +341,21 @@ c c if set by the user c status = rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec) - status = status.or. + status = status.and. S rtdb_get(rtdb,'cosmo:dielecinf',mt_dbl,1,dielecinf) - status = status.or. + status = status.and. S rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola) - status = status.or. + status = status.and. S rtdb_get(rtdb,'cosmo:solb',mt_dbl,1,solb) - status = status.or. + status = status.and. S rtdb_get(rtdb,'cosmo:solc',mt_dbl,1,solc) - status = status.or. + status = status.and. S rtdb_get(rtdb,'cosmo:solg',mt_dbl,1,solg) - status = status.or. + status = status.and. S rtdb_get(rtdb,'cosmo:solh',mt_dbl,1,solh) - status = status.or. + status = status.and. S rtdb_get(rtdb,'cosmo:soln',mt_dbl,1,soln) - status = status.or. + status = status.and. S rtdb_get(rtdb,'cosmo:icds',mt_int,1,icds) if(.not.status) then if(odbug.and.me.eq.0)