Skip to content

Commit

Permalink
fix catch_properties
Browse files Browse the repository at this point in the history
  • Loading branch information
maki49 committed Jul 2, 2024
1 parent d0ae3cf commit cc7ea3b
Show file tree
Hide file tree
Showing 3 changed files with 4 additions and 1 deletion.
1 change: 1 addition & 0 deletions tests/integrate/207_NO_KP_OXC/result.ref
Original file line number Diff line number Diff line change
@@ -1,4 +1,5 @@
etotref -212.6300856413655
etotperatomref -106.3150428207
CompareXC_pass 0
CompareOE_pass 0
totaltimeref 22.06
1 change: 1 addition & 0 deletions tests/integrate/307_NO_GO_OXC/result.ref
Original file line number Diff line number Diff line change
@@ -1,6 +1,7 @@
etotref -204.1062806122546
etotperatomref -102.0531403061
CompareXC_pass 0
CompareOE_pass 0
pointgroupref T_d
spacegroupref O_h
nksibzref 1
Expand Down
3 changes: 2 additions & 1 deletion tests/integrate/tools/catch_properties.sh
Original file line number Diff line number Diff line change
Expand Up @@ -224,8 +224,9 @@ if ! test -z "$has_xc" && [ $has_xc == 1 ]; then
oeref=vxc_out.ref
oecal=OUT.autotest/vxc_out
python3 ../tools/CompareFile.py $xcref $xccal 4
echo "CompareXC_pass $?" >>$1
python3 ../tools/CompareFile.py $oeref $oecal 6
echo "CompareXC_pass $?" >>$1
echo "CompareOE_pass $?" >>$1
fi

#echo $has_hs2
Expand Down

0 comments on commit cc7ea3b

Please sign in to comment.