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fleur
fleur
Commits
259a6ebd
Commit
259a6ebd
authored
Oct 15, 2018
by
Daniel Wortmann
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Updated NiO test to new version
parent
29c56395
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1
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tests/tests/NiO_ldauXML/test.run1
tests/tests/NiO_ldauXML/test.run1
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tests/tests/NiO_ldauXML/test.run1
View file @
259a6ebd
...
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@@ -8,9 +8,9 @@ jt::testrun("$executable ",$workdir);
#now test output
$result=jt::test_grepexists("$workdir/out","it= 9 is completed");
$result+=jt::test_grepnumber("$workdir/out","new fermi energy",".*: *([^ ]*)",0.26
3
,0.001);
$result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-3191.9
707
,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densities for it= *9",": *([^ ]*)",
1.439
,0.01);
$result+=jt::test_grepnumber("$workdir/out","mm 1",".*mm 1 *([^ ]*)",1.7
5
,0.03);
$result+=jt::test_grepnumber("$workdir/out","new fermi energy",".*: *([^ ]*)",0.26
2
,0.001);
$result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-3191.9
38
,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densities for it= *9",": *([^ ]*)",
0.25
,0.01);
$result+=jt::test_grepnumber("$workdir/out","mm 1",".*mm 1 *([^ ]*)",1.7
2
,0.03);
jt::stageresult($workdir,$result,"1");
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