Commit f1c3fd6d authored by Henning Janssen's avatar Henning Janssen

Change the test occupations for GF test (see previous commit)

parent e3fbd660
......@@ -8,6 +8,6 @@ jt::testrun("$executable ",$workdir);
#now test output
$result=jt::test_grepexists("$workdir/out","it= 1 is completed");
$result+=jt::test_grepnumber("$workdir/out","Spin-Up trace:",": *([^ ]*)",4.8586,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Spin-Down trace:",": *([^ ]*)",2.6750,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Spin-Down trace:",": *([^ ]*)",2.6718,0.0005);
jt::stageresult($workdir,$result,"1");
......@@ -7,7 +7,7 @@ jt::testrun("$executable ",$workdir);
#now test output
$result=jt::test_fileexists("$workdir/out");
$result+=jt::test_grepexists("$workdir/out","it= 1 is completed");
$result+=jt::test_grepnumber("$workdir/out","Spin-Up trace:",": *([^ ]*)",4.0354,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Spin-Down trace:",": *([^ ]*)",1.8764,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Spin-Up trace:",": *([^ ]*)",4.0323,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Spin-Down trace:",": *([^ ]*)",1.8791,0.0005);
jt::stageresult($workdir,$result,"1");
......@@ -7,7 +7,7 @@ jt::testrun("$executable ",$workdir);
#now test output
$result=jt::test_fileexists("$workdir/out");
$result+=jt::test_grepexists("$workdir/out","it= 1 is completed");
$result+=jt::test_grepnumber("$workdir/out","Spin-Up trace:",": *([^ ]*)",4.0354,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Spin-Down trace:",": *([^ ]*)",1.8764,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Spin-Up trace:",": *([^ ]*)",4.0323,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Spin-Down trace:",": *([^ ]*)",1.8791,0.0005);
jt::stageresult($workdir,$result,"1");
......@@ -15,12 +15,12 @@ $result+=jt::test_grepnumber("$workdir/Hubbard1/hloc.cfg","xiSOC","xiSOC *([^ ]*
#test for one eigval file
$result+=jt::test_fileexists("$workdir/Hubbard1/eigval7part.dat");
#test matching chemical potential
$result+=jt::test_grepnumber("$workdir/out","muMatch =","= *([^ ]*)",-0.0322,0.0001);
$result+=jt::test_grepnumber("$workdir/out","muMatch =","= *([^ ]*)",-3.195789903402195E-002,0.0001);
#test density matrix
$result+=jt::test_grepnumber("$workdir/out","nmmp occupation distance:",": *([^ ]*)",6.99999999668645,0.0001);
$result+=jt::test_grepnumber("$workdir/out","nmmp element distance:",": *([^ ]*)",0.997538319677953,0.0001);
$result+=jt::test_grep_lastnumber("$workdir/out","total energy=","= *([^ ]*)",-22560.5848351388,0.00001);
$result+=jt::test_grepnumber("$workdir/out","distance of spin densities for it=","3: *([^ ]*)",25.05658,0.0001);
$result+=jt::test_grep_lastnumber("$workdir/out","total energy=","= *([^ ]*)",-22560.5844266853,0.00001);
$result+=jt::test_grepnumber("$workdir/out","distance of spin densities for it=","3: *([^ ]*)",25.063413,0.0001);
jt::stageresult($workdir,$result,"1");
......@@ -19,8 +19,8 @@ $result+=jt::test_fileexists("$workdir/Hubbard1/2_f/hloc.cfg");
$result+=jt::test_fileexists("$workdir/Hubbard1/2_f/eigval7part.dat");
#test density matrix
$result+=jt::test_grepnumber("$workdir/out","nmmp occupation distance:",": *([^ ]*)",7.00000000256298,0.0005);
$result+=jt::test_grepnumber("$workdir/out","nmmp element distance:",": *([^ ]*)",1.00001034567190,0.00001);
$result+=jt::test_grep_lastnumber("$workdir/out","total energy=","= *([^ ]*)",-22560.5567947113,0.00001);
$result+=jt::test_grepnumber("$workdir/out","distance of spin densities for it=","3: *([^ ]*)",25.05826,0.0001);
$result+=jt::test_grepnumber("$workdir/out","nmmp element distance:",": *([^ ]*)",0.999885321550272,0.00001);
$result+=jt::test_grep_lastnumber("$workdir/out","total energy=","= *([^ ]*)",-22560.5555955645,0.00001);
$result+=jt::test_grepnumber("$workdir/out","distance of spin densities for it=","3: *([^ ]*)",25.053376,0.0001);
jt::stageresult($workdir,$result,"1");
......@@ -9,12 +9,12 @@ $result=jt::test_fileexists("$workdir/out");
$result+=jt::test_grepexists("$workdir/out","it= 1 is completed");
#Test for the occupations (may need adjustments)
#Rectangle
$result+=jt::test_grepnumber("$workdir/out","Contour(RectangleExample) Spin-Up trace:",": *([^ ]*)",3.9431,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Contour(RectangleExample) Spin-Down trace:",": *([^ ]*)",1.8636,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Contour(RectangleExample) Spin-Up trace:",": *([^ ]*)",3.9421,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Contour(RectangleExample) Spin-Down trace:",": *([^ ]*)",1.8652,0.0005);
#Semicircle
$result+=jt::test_grepnumber("$workdir/out","Contour(default) Spin-Up trace:",": *([^ ]*)",4.0354,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Contour(default) Spin-Down trace:",": *([^ ]*)",1.8764,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Contour(default) Spin-Up trace:",": *([^ ]*)",4.0323,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Contour(default) Spin-Down trace:",": *([^ ]*)",1.8791,0.0005);
#DOS (not weighted with fermi function)
$result+=jt::test_grepnumber("$workdir/out","Contour(DOSExample) Spin-Up trace:",": *([^ ]*)",4.9907,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Contour(DOSExample) Spin-Down trace:",": *([^ ]*)",4.9901,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Contour(DOSExample) Spin-Up trace:",": *([^ ]*)",4.9902,0.0005);
$result+=jt::test_grepnumber("$workdir/out","Contour(DOSExample) Spin-Down trace:",": *([^ ]*)",4.9905,0.0005);
jt::stageresult($workdir,$result,"1");
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