+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>0.0002"|bc -l` != "0" ]; then
+ echo 'ERROR largest abs(numerical/analytical)' ${diff}
+ echo ' greater than 0.0002'
+ exit 1
+ else
+ exit 0
+ fi
+