Commit 8dd1fd68 authored by Matthias Redies's avatar Matthias Redies

classic sign error

parent 5d61f6ba
......@@ -26,7 +26,7 @@ jt::testrun_seq("$executable ",$workdir);
$result=jt::test_grepexists("$workdir/out","it= 1 is completed");
$result+=jt::test_grepnumber("$workdir/out", " total energy=", ".*= *([^ ]*)", -569.8053210563, 0.0001);
$result+=jt::test_grepnumber("$workdir/out", "HF total energy=", ".*= *([^ ]*)", 580.0376501381, 0.0001);
$result+=jt::test_grepnumber("$workdir/out", "HF total energy=", ".*= *([^ ]*)", -580.0376501381, 0.0001);
$result+=jt::test_grepnumber("$workdir/out", "distance of charge densitie", "13: *([^ ]*)", 0.000002, 0.0001);
$result+=jt::test_grepnumber("$workdir/out", "distance of charge densitie", "14: *([^ ]*)", 0.512727, 0.0001);
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment