source: tests/Calculations@ fbf005

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChronosMutex Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
atlocal.in 34 bytes ​ abfc95   10 years FrederikHeber Added test for mpqc and fragmentation calculations in target …
change.sh 2.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
Makefile.am 3.6 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
molecuilder.in 514 bytes ​ abfc95   10 years FrederikHeber Added test for mpqc and fragmentation calculations in target …
molecuilder_poolworker.in 300 bytes ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-1_2-dimethoxyethane.at 1.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-1_2-dimethylbenzene.at 1.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-2-methylcyclohexanone.at 1.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-anthracene.at 2.2 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-benzene.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-cholesterol.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-coronene.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-cycloheptane.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-dimethyl_bromomalonate.at 1.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-glucose.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-heptan.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-isoleucine.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-jobmarket-1_2-dimethoxyethane.at 3.4 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-1_2-dimethylbenzene.at 3.4 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-2-methylcyclohexanone.at 3.4 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-anthracene.at 3.8 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-benzene.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-cholesterol.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-coronene.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-cycloheptane.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-dimethyl_bromomalonate.at 3.4 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-glucose.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-heptan.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-isoleucine.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-mpqc.at 3.1 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-N_N-dimethylacetamide.at 3.4 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-naphthalene.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-neohexane.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-phenanthrene.at 3.6 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-proline.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-putrescine.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-jobmarket-tartaric_acid.at 3.3 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-calculations-mpqc.at 1.5 KB ​ 605b92   10 years FrederikHeber TESTFIX: Output for target "extracheck" in logs is not helpful if just …
testsuite-calculations-N_N-dimethylacetamide.at 1.8 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-naphthalene.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-neohexane.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-phenanthrene.at 2.0 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-proline.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-putrescine.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite-calculations-tartaric_acid.at 1.7 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
testsuite.at 2.3 KB ​ abfc95   10 years FrederikHeber Added test for mpqc and fragmentation calculations in target …
testsuite_jobmarket.at 2.4 KB ​ c2f543   8 years FrederikHeber Target extracheck now uses Server/PoolWorker when JobMarket is …
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