X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=ctest%2Fcheckgrad.awk;h=1280b1c50f5c8c809c24e2d8da69147ed9af102c;hp=c8968f68966f1493726f389e6a3a8732cfa2084e;hb=428260002283b6a07500e4b81c4182423fd2f26e;hpb=5464a69bec1071f24a02d91a6c4483c3ace66c04 diff --git a/ctest/checkgrad.awk b/ctest/checkgrad.awk index c8968f6..1280b1c 100644 --- a/ctest/checkgrad.awk +++ b/ctest/checkgrad.awk @@ -37,7 +37,7 @@ for (x in d){ if (diff>diffmax) diffmax=diff } -print "Largest abs(numerical/analytical)= ",diffmax +print "Largest abs(1-numerical/analytical)= ",diffmax print "Sorted:" n = asort(d,sorted) for (i = 1; i <= n; i++)