From 6f4812f8cae1820068cac3ca295417ef1bae5526 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Wed, 23 Mar 2016 02:25:43 +0100 Subject: [PATCH] ctest microcanoninal energy fluctuations limits adjusted --- ctest/prota_unres_energy_check.sh | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/ctest/prota_unres_energy_check.sh b/ctest/prota_unres_energy_check.sh index b0bf3c5..35350ff 100755 --- a/ctest/prota_unres_energy_check.sh +++ b/ctest/prota_unres_energy_check.sh @@ -65,8 +65,8 @@ elif [ "$1" == "1l2y_micro" ]; then if [ `echo "a=${array[0]}-${refe};if(0>a)a*=-1;a>5.0"|bc -l` != "0" ]; then echo 'difference ' `echo "a=${array[0]}-${refe};if(0>a)a*=-1;a"|bc -l` "from reference ave etot ${refe} greater than 5.0" exit 1 - elif [ `echo "a=${array[1]};a>0.05"|bc -l` != "0" ]; then - echo 'standard deviation greater than 0.05' + elif [ `echo "a=${array[1]};a>0.1"|bc -l` != "0" ]; then + echo 'standard deviation greater than 0.1' exit 1 else exit 0 @@ -163,8 +163,8 @@ elif [ "$1" == "1DKZcut-micro" ]; then if [ `echo "a=${array[0]}-(${refe});if(0>a)a*=-1;a>5.0"|bc -l` != "0" ]; then echo 'difference ' `echo "a=${array[0]}-${refe};if(0>a)a*=-1;a"|bc -l` "from reference ave etot ${refe} greater than 5.0" exit 1 - elif [ `echo "a=${array[1]};a>0.05"|bc -l` != "0" ]; then - echo 'standard deviation greater than 0.05' + elif [ `echo "a=${array[1]};a>0.005"|bc -l` != "0" ]; then + echo 'standard deviation greater than 0.005' exit 1 else exit 0 -- 1.7.9.5