ctest tolerance for csa emin inreased to 5.0

[unres.git] / ctest / csa_energy_check.sh

diff --git a/ctest/csa_energy_check.sh b/ctest/csa_energy_check.sh
index c20f3e9..56507fb 100755 (executable)
--- a/ctest/csa_energy_check.sh
+++ b/ctest/csa_energy_check.sh
@@ -12,8 +12,8 @@ fi
 emin=`grep jlee $file |awk '{print $10}'`
 echo 'Emin= ' $emin
 echo 'difference ' `echo "a=$emin+215.41208;if(0>a)a*=-1;a"|bc -l` ' from reference emin -215.41208'
-if [ `echo "a=$emin+215.41208;if(0>a)a*=-1;a>1.0"|bc -l` != "0" ]; then
-  echo 'ERROR difference from reference emin -215.41208 greater than 1.0'
+if [ `echo "a=$emin+215.41208;if(0>a)a*=-1;a>5.0"|bc -l` != "0" ]; then
+  echo 'ERROR difference from reference emin -215.41208 greater than 5.0'
   exit 1
 fi