From c46050d45363648da9c11246030db4b038ad4aa8 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Sun, 5 Apr 2020 10:04:51 +0200 Subject: [PATCH] ctest ref 1DKZcut-min --- ctest/newcorr/prota_unres_energy_check_mult.sh | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/ctest/newcorr/prota_unres_energy_check_mult.sh b/ctest/newcorr/prota_unres_energy_check_mult.sh index 66b2536..b47ae04 100755 --- a/ctest/newcorr/prota_unres_energy_check_mult.sh +++ b/ctest/newcorr/prota_unres_energy_check_mult.sh @@ -154,8 +154,8 @@ elif [ "$1" == "1DKZcut-lang" ]; then elif [ "$1" == "1DKZcut-min" ]; then extremediff="10.0" # extreme energy difference, comething went terribly wrong - expectenergy="-108.0871" # - expected total energy - cutoffdiff="8.0" # energy cutoff variation - more then this rises warning + expectenergy="-154.36" # - expected total energy + cutoffdiff="10.0" # energy cutoff variation - more then this rises warning sumsl_return=`grep SUMSL $file|awk '{print $4}'` echo 'SUMSL return code' $sumsl_return -- 1.7.9.5