Commit 0f2bb362 authored by Gregor Michalicek's avatar Gregor Michalicek

Adapt several tests to recent changes in differ

parent 60c6df1f
......@@ -12,22 +12,22 @@ $result+=jt::test_fileexists("$workdir/MCD_SPEC.0");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.-","60.002");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.-","0.0071");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.-","58.005");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.-","58.00");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.-","0.0403");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.-","57.004");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.-","0.054");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.+","60.002");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.+","0.0134");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.+","58.005");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.+","58.00");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.+","0.0348");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.+","57.004");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.+","0.0357");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.0","60.002");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.0","0.0155");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.0","58.005");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.0","0.0502");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.0","58.00");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.0","0.0503");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.0","57.004");
$result+=jt::test_grepexists("$workdir/MCD_SPEC.0","0.0445");
......
......@@ -10,6 +10,6 @@ jt::testrun($executable,$workdir);
#now test output
$result=jt::test_fileexists("$workdir/band.1");
$result=jt::test_fileexists("$workdir/DOS.1");
$result+=jt::test_grepnumber("$workdir/DOS.1","9.40670","9.40670 (.....)",0.290,0.0001);
$result+=jt::test_grepnumber("$workdir/DOS.1","9.40646","9.40646 (.....)",0.290,0.0001);
jt::stageresult($workdir,$result,"2");
......@@ -8,6 +8,6 @@ jt::testrun("$executable -xmlInput",$workdir);
#now test output
$result=jt::test_fileexists("$workdir/band.1");
$result=jt::test_fileexists("$workdir/DOS.1");
$result+=jt::test_grepnumber("$workdir/DOS.1","9.40670","9.40670 (.....)",0.290,0.0001);
$result+=jt::test_grepnumber("$workdir/DOS.1","9.40646","9.40646 (.....)",0.290,0.0001);
jt::stageresult($workdir,$result,"1");
......@@ -11,6 +11,6 @@ jt::testrun($executable,$workdir);
$result=jt::test_grepexists("$workdir/out","it= 1 is completed");
$result+=jt::test_grepnumber("$workdir/out","new fermi energy",": *([^ ]*)",0.4250,0.0001);
$result+=jt::test_grepnumber("$workdir/out","total energy=","= *([^ ]*)",-3305.007,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densitie","1: *([^ ]*)",48.993,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densitie","1: *([^ ]*)",48.98689,0.001);
jt::stageresult($workdir,$result,"2");
......@@ -9,6 +9,6 @@ jt::testrun("$executable -xmlInput",$workdir);
$result=jt::test_grepexists("$workdir/out","it= 1 is completed");
$result+=jt::test_grepnumber("$workdir/out","new fermi energy",": *([^ ]*)",0.4250,0.0001);
$result+=jt::test_grepnumber("$workdir/out","total energy=","= *([^ ]*)",-3305.007,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densitie","1: *([^ ]*)",48.993,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densitie","1: *([^ ]*)",48.986892,0.001);
jt::stageresult($workdir,$result,"1");
......@@ -9,6 +9,6 @@ jt::testrun($executable,$workdir);
#now test output
$result=jt::test_fileexists("$workdir/DOS.1");
$result+=jt::test_grepnumber("$workdir/DOS.1","10.88690","10.88690 (.....)",0.105,0.0001);
$result+=jt::test_grepnumber("$workdir/DOS.1","10.88655","10.88655 (.....)",0.105,0.0001);
jt::stageresult($workdir,$result,"2");
......@@ -7,6 +7,6 @@ jt::testrun("$executable -xmlInput",$workdir);
#now test output
$result=jt::test_fileexists("$workdir/DOS.1");
#$result+=jt::test_grepnumber("$workdir/DOS.1","10.86","10.86[^ ]* (.....)",0.107,0.001);
$result+=jt::test_grepnumber("$workdir/DOS.1","10.88807","10.88807 (.....)",0.107,0.0001);
jt::stageresult($workdir,$result,"1");
......@@ -10,5 +10,5 @@ jt::testrun($executable,$workdir);
#now test output
$result=jt::test_fileexists("$workdir/out.xml");
$result+=jt::test_grepnumber("$workdir/out.xml","totalEnergy","value=. *(..........)",-1272.4332,0.0003);
$result+=jt::test_grepnumber("$workdir/out.xml","overallChargeDensity","distance=. *(.....)",5.826,0.001);
$result+=jt::test_grepnumber("$workdir/out.xml","overallChargeDensity","distance=. *(.....)",5.832,0.001);
jt::stageresult($workdir,$result,"2");
......@@ -7,6 +7,6 @@ jt::testrun("$executable",$workdir);
#now test output
$result=jt::test_grepexists("$workdir/out","it= 3 is completed");
$result+=jt::test_grepnumber("$workdir/out","distance of charge densities for it","3: *([^ ]*)",9.964,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densities for it","3: *([^ ]*)",9.971,0.001);
jt::stageresult($workdir,$result,"1");
......@@ -7,7 +7,7 @@ jt::testrun($executable,$workdir);
#now test output
$result=jt::test_grepexists("$workdir/forces.dat","energy = -4204.782360");
$result=jt::test_grepexists("$workdir/forces.dat","energy = -4204.782359");
$result+=jt::test_grepexists("$workdir/forces.dat","1.3806");
$result+=jt::test_grepexists("$workdir/forces.dat","0.009423");
......
......@@ -16,10 +16,10 @@ $result+=jt::test_grepexists("$workdir/plot.xsf","3.35012");
$result+=jt::test_grepexists("$workdir/plot.xsf",".39481");
$result+=jt::test_grepexists("$workdir/plot.xsf","2.23341");
# density values
$result+=jt::test_grepexists("$workdir/plot.xsf","2.080016533"); # line 24
$result+=jt::test_grepexists("$workdir/plot.xsf","1.275465708"); # line 289
$result+=jt::test_grepexists("$workdir/plot.xsf","7.987664739"); # line 521
$result+=jt::test_grepexists("$workdir/plot.xsf","10.2889422"); # line 523
$result+=jt::test_grepexists("$workdir/plot.xsf","1.367065648"); # line 3018
$result+=jt::test_grepexists("$workdir/plot.xsf","2.080311663"); # line 24
$result+=jt::test_grepexists("$workdir/plot.xsf","1.275515247"); # line 289
$result+=jt::test_grepexists("$workdir/plot.xsf","7.9874788"); # line 521
$result+=jt::test_grepexists("$workdir/plot.xsf","10.2889353"); # line 523
$result+=jt::test_grepexists("$workdir/plot.xsf","1.367227396"); # line 3018
jt::stageresult($workdir,$result,"2");
......@@ -16,10 +16,10 @@ $result+=jt::test_grepexists("$workdir/plot.xsf","3.35012");
$result+=jt::test_grepexists("$workdir/plot.xsf",".39481");
$result+=jt::test_grepexists("$workdir/plot.xsf","2.23341");
# density values
$result+=jt::test_grepexists("$workdir/plot.xsf","1.596958998"); # line 24
$result+=jt::test_grepexists("$workdir/plot.xsf","9.618879627"); # line 289
$result+=jt::test_grepexists("$workdir/plot.xsf","2.872909860"); # line 521
$result+=jt::test_grepexists("$workdir/plot.xsf","0.211891147"); # line 523
$result+=jt::test_grepexists("$workdir/plot.xsf","1.097857661"); # line 3018
$result+=jt::test_grepexists("$workdir/plot.xsf","1.596943750"); # line 24
$result+=jt::test_grepexists("$workdir/plot.xsf","9.618902941"); # line 289
$result+=jt::test_grepexists("$workdir/plot.xsf","2.872946019"); # line 521
$result+=jt::test_grepexists("$workdir/plot.xsf","0.211894348"); # line 523
$result+=jt::test_grepexists("$workdir/plot.xsf","1.097842867"); # line 3018
jt::stageresult($workdir,$result,"3");
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