From 28549bf042a523c00287683a3d13ef4c20817c09 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 6 Feb 2023 13:39:16 +0100 Subject: [PATCH] Clean MOs for TCSCF in qp_reset --- bin/qp_reset | 1 + 1 file changed, 1 insertion(+) diff --git a/bin/qp_reset b/bin/qp_reset index 74dd1f78..d94ab24c 100755 --- a/bin/qp_reset +++ b/bin/qp_reset @@ -105,6 +105,7 @@ if [[ $mos -eq 1 ]] ; then echo "Warning: You will need to re-define the MO classes" fi rm --recursive --force -- ${ezfio}/mo_basis + rm --recursive --force -- ${ezfio}/bi_ortho_mos rm --recursive --force -- ${ezfio}/work/mo_ints_* fi