# exit 1
fi
-elif [ "$1" == "prota_CHECKGRAD" ]; then
- diff=`awk -f checkgrad.awk $file |grep 'Largest abs(numerical/analytical)='|awk '{printf "%15.10f",$3}'`
- awk -f checkgrad.awk $file
+elif [ "$1" == "prota_CHECKGRAD" ] || [ "$1" == "1DKZcut-checkgrad" ]; then
+ diff=`gawk -f checkgrad.awk $file |grep 'Largest abs(1-numerical/analytical)='|awk '{printf "%15.10f",$3}'`
+ gawk -f checkgrad.awk $file
- if [ `echo "a=${diff};a>0.0001"|bc -l` != "0" ]; then
+ if [ `echo "a=${diff};a>0.0002"|bc -l` != "0" ]; then
echo 'ERROR largest abs(numerical/analytical)' ${diff}
- echo ' greater than 0.0001'
+ echo ' greater than 0.0002'
exit 1
else
exit 0