ctest correction
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 28 Feb 2017 07:07:24 +0000 (08:07 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 28 Feb 2017 07:07:24 +0000 (08:07 +0100)
ctest/prota_unres_energy_check.sh

index 513e33b..bd48989 100755 (executable)
@@ -203,7 +203,7 @@ elif [ "$1" == "1ei0_min" ]; then
 #   exit 1
  fi
 
-elif [ "$1" == "prota_CHECKGRAD" ] || [ "$1" == "1DKZcut-checkgrad" ] || [ "$1" ==  "checkgrad_dfa" ] || [ "$1" ==  "Ts866_checkgrad_full"] ; then
+elif [ "$1" == "prota_CHECKGRAD" ] || [ "$1" == "1DKZcut-checkgrad" ] || [ "$1" ==  "checkgrad_dfa" ] || [ "$1" ==  "Ts866_checkgrad_full" ] ; then
  diff=`gawk -f checkgrad.awk $file |grep 'Largest abs(1-numerical/analytical)='|awk '{printf "%15.10f",$3}'`
  gawk -f checkgrad.awk $file