Update crenso

grimme-lab · Jul 19, 2021 · 17fd469 · 17fd469
1 parent 6814aa9
commit 17fd469
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/crenso b/crenso
@@ -25,6 +25,7 @@ p3=off
 printhelp=off
 progress=on
 change_solvent="off"
+vp="off"
 while [ "$argcheck" = "y" ]; do
    if [ -n "$1" ]; then
       case $1 in
@@ -591,4 +592,4 @@ else
    echo "$logk3           logK $s2-$s1 part3"
 fi
 echo "================================================"
-echo -e "\n#>>># CRENSO: All done!"
+echo -e "\n#>>># CRENSO: All done!"