test.run1 897 Bytes
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#juDFT Testscript

jt::copyfile("files/inp.xml",$workdir);
jt::copyfile("files/sym.out",$workdir);

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jt::testrun("$executable ",$workdir);
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#now test output
$result=jt::test_fileexists("$workdir/out");
$result+=jt::test_fileexists("$workdir/cdn1");
$result+=jt::test_grepexists("$workdir/out","total charge");
$result+=jt::test_grepnumber("$workdir/out","qfix","qfix= *([^ ]*)",1.0,0.00001);

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$result=jt::test_grepexists("$workdir/out","it= 20  is completed");
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$result+=jt::test_grepnumber("$workdir/out","to ef",".*: *([^ ]*)",0.322107,0.001);
$result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-1273.0878571350,0.00001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densities for it=   20",": *([^ ]*)",0.000,0.01);
$result+=jt::test_grepnumber("$workdir/out","mm       1",".*mm       1 *([^ ]*)",3.93316,0.001);
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jt::stageresult($workdir,$result,"1");