Commit f91095f6 authored by Gregor Michalicek's avatar Gregor Michalicek

Adaped reference values in tests to default CPP_CORE

After making CPP_CORE the default in Fleur runs some
tests didn't work any more. I adapted the reference values
from theses tests. Everything works again.
parent 4fe49922
...@@ -9,7 +9,7 @@ jt::testrun($executable,$workdir); ...@@ -9,7 +9,7 @@ jt::testrun($executable,$workdir);
#now test output #now test output
$result=jt::test_grepexists("$workdir/out","it= 1 is completed"); $result=jt::test_grepexists("$workdir/out","it= 1 is completed");
$result+=jt::test_grepnumber("$workdir/out","first approx. to ef",".*: *([^ ]*)",0.188,0.001); $result+=jt::test_grepnumber("$workdir/out","first approx. to ef",".*: *([^ ]*)",0.188,0.001);
$result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-190662.670,0.01); $result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-190662.65968,0.01);
$result+=jt::test_grepnumber("$workdir/out","mm 15 ","mm 15 *([^ ]*)",-0.022,0.01); $result+=jt::test_grepnumber("$workdir/out","mm 15 ","mm 15 *([^ ]*)",-0.022,0.01);
jt::stageresult($workdir,$result,"2"); jt::stageresult($workdir,$result,"2");
...@@ -8,8 +8,8 @@ jt::testrun("$executable -xmlInput",$workdir); ...@@ -8,8 +8,8 @@ jt::testrun("$executable -xmlInput",$workdir);
#now test output #now test output
$result=jt::test_grepexists("$workdir/out","it= 1 is completed"); $result=jt::test_grepexists("$workdir/out","it= 1 is completed");
$result+=jt::test_grepnumber("$workdir/out","first approx. to ef",".*: *([^ ]*)",0.188,0.001); $result+=jt::test_grepnumber("$workdir/out","first approx. to ef",".*: *([^ ]*)",0.188,0.001);
$result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-190662.690,0.01); $result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-190662.68039,0.01);
$result+=jt::test_grepnumber("$workdir/out","mm 15 ","mm 15 *([^ ]*)",-0.020,0.01); $result+=jt::test_grepnumber("$workdir/out","mm 15 ","mm 15 *([^ ]*)",-0.02,0.01);
jt::stageresult($workdir,$result,"1"); jt::stageresult($workdir,$result,"1");
......
...@@ -10,7 +10,7 @@ jt::testrun($executable,$workdir); ...@@ -10,7 +10,7 @@ jt::testrun($executable,$workdir);
#now test output #now test output
$result=jt::test_grepexists("$workdir/out","it= 1 is completed"); $result=jt::test_grepexists("$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","new fermi energy",": *([^ ]*)",0.4250,0.0001);
$result+=jt::test_grepnumber("$workdir/out","total energy=","= *([^ ]*)",-3305.008,0.001); $result+=jt::test_grepnumber("$workdir/out","total energy=","= *([^ ]*)",-3305.007,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densitie","1: *([^ ]*)",49.035,0.001); $result+=jt::test_grepnumber("$workdir/out","distance of charge densitie","1: *([^ ]*)",48.993,0.001);
jt::stageresult($workdir,$result,"2"); jt::stageresult($workdir,$result,"2");
...@@ -8,7 +8,7 @@ jt::testrun("$executable -xmlInput",$workdir); ...@@ -8,7 +8,7 @@ jt::testrun("$executable -xmlInput",$workdir);
#now test output #now test output
$result=jt::test_grepexists("$workdir/out","it= 1 is completed"); $result=jt::test_grepexists("$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","new fermi energy",": *([^ ]*)",0.4250,0.0001);
$result+=jt::test_grepnumber("$workdir/out","total energy=","= *([^ ]*)",-3305.008,0.001); $result+=jt::test_grepnumber("$workdir/out","total energy=","= *([^ ]*)",-3305.007,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densitie","1: *([^ ]*)",49.035,0.001); $result+=jt::test_grepnumber("$workdir/out","distance of charge densitie","1: *([^ ]*)",48.993,0.001);
jt::stageresult($workdir,$result,"1"); jt::stageresult($workdir,$result,"1");
...@@ -9,9 +9,9 @@ jt::testrun($executable,$workdir); ...@@ -9,9 +9,9 @@ jt::testrun($executable,$workdir);
#now test output #now test output
$result=jt::test_grepexists("$workdir/out","it= 20 is completed"); $result=jt::test_grepexists("$workdir/out","it= 20 is completed");
$result+=jt::test_grepnumber("$workdir/out","to ef",".*: *([^ ]*)",0.2739,0.0001); $result+=jt::test_grepnumber("$workdir/out","to ef",".*: *([^ ]*)",0.2740,0.0001);
$result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-1272.954,0.001); $result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-1272.9535,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densities for it= 20",": *([^ ]*)",0.0000,0.01); $result+=jt::test_grepnumber("$workdir/out","distance of charge densities for it= 20",": *([^ ]*)",0.000274,0.01);
$result+=jt::test_grepnumber("$workdir/out","mm 1",".*mm 1 *([^ ]*)",3.85,0.01); $result+=jt::test_grepnumber("$workdir/out","mm 1",".*mm 1 *([^ ]*)",3.852,0.01);
jt::stageresult($workdir,$result,"2"); jt::stageresult($workdir,$result,"2");
...@@ -7,9 +7,9 @@ jt::testrun("$executable -xmlInput",$workdir); ...@@ -7,9 +7,9 @@ jt::testrun("$executable -xmlInput",$workdir);
#now test output #now test output
$result=jt::test_grepexists("$workdir/out","it= 20 is completed"); $result=jt::test_grepexists("$workdir/out","it= 20 is completed");
$result+=jt::test_grepnumber("$workdir/out","to ef",".*: *([^ ]*)",0.2739,0.0001); $result+=jt::test_grepnumber("$workdir/out","to ef",".*: *([^ ]*)",0.2740,0.0001);
$result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-1272.954,0.001); $result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-1272.9535,0.001);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densities for it= 20",": *([^ ]*)",0.0000,0.01); $result+=jt::test_grepnumber("$workdir/out","distance of charge densities for it= 20",": *([^ ]*)",0.000274,0.01);
$result+=jt::test_grepnumber("$workdir/out","mm 1",".*mm 1 *([^ ]*)",3.85,0.01); $result+=jt::test_grepnumber("$workdir/out","mm 1",".*mm 1 *([^ ]*)",3.852,0.01);
jt::stageresult($workdir,$result,"2"); jt::stageresult($workdir,$result,"2");
...@@ -10,6 +10,6 @@ jt::testrun($executable,$workdir); ...@@ -10,6 +10,6 @@ jt::testrun($executable,$workdir);
#now test output #now test output
$result=jt::test_grepexists("$workdir/out","it= 1 is completed"); $result=jt::test_grepexists("$workdir/out","it= 1 is completed");
$result+=jt::test_grepnumber("$workdir/out","new fermi",".*: *([^ ]*)",0.211131,0.001); $result+=jt::test_grepnumber("$workdir/out","new fermi",".*: *([^ ]*)",0.211131,0.001);
$result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-22006.6532375,0.01); $result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-22006.639735,0.01);
jt::stageresult($workdir,$result,"1"); jt::stageresult($workdir,$result,"1");
...@@ -9,6 +9,6 @@ jt::testrun("$executable -xmlInput",$workdir); ...@@ -9,6 +9,6 @@ jt::testrun("$executable -xmlInput",$workdir);
#now test output #now test output
$result=jt::test_grepexists("$workdir/out","it= 1 is completed"); $result=jt::test_grepexists("$workdir/out","it= 1 is completed");
$result+=jt::test_grepnumber("$workdir/out","new fermi",".*: *([^ ]*)",0.211131,0.001); $result+=jt::test_grepnumber("$workdir/out","new fermi",".*: *([^ ]*)",0.211131,0.001);
$result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-22006.6532375,0.01); $result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-22006.639735,0.01);
jt::stageresult($workdir,$result,"1"); jt::stageresult($workdir,$result,"1");
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