From: Cezary Czaplewski Date: Sun, 5 Apr 2020 19:23:24 +0000 (+0200) Subject: ctest ref val X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=2669accd115e795eccd5ed16ca99da0c0a07e3a4 ctest ref val --- diff --git a/ctest/newcorr/prota_unres_energy_check_mult.sh b/ctest/newcorr/prota_unres_energy_check_mult.sh index 7384c55..e415b57 100755 --- a/ctest/newcorr/prota_unres_energy_check_mult.sh +++ b/ctest/newcorr/prota_unres_energy_check_mult.sh @@ -243,7 +243,7 @@ elif [ "$1" == "Ts866_checkgrad_full" ] ; then fi - if [ `echo "a=${diff};a>0.0020"|bc -l` != "0" ]; then + if [ `echo "a=${diff};a>0.0070"|bc -l` != "0" ]; then echo 'ERROR largest abs(1-numerical/analytical)' ${diff} echo ' greater than 0.0070' exit_error=1