source: src/Fragmentation/Automation/unittests@ 917be8

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
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stubs d920b9   13 years FrederikHeber Abstracted FragmentJob and introduced SystemCommandJob which has its …
FragmentJobUnitTest.cpp 2.6 KB ​ d920b9   13 years FrederikHeber Abstracted FragmentJob and introduced SystemCommandJob which has its …
FragmentJobUnitTest.hpp 869 bytes ​ 142ff5   13 years FrederikHeber FragmentJob now executes a specific string as command along with an …
FragmentQueueUnitTest.cpp 10.2 KB ​ d6b12c   12 years FrederikHeber FragmentQueue is now observable. - this is preparatory for allowing …
FragmentQueueUnitTest.hpp 1.0 KB ​ d6b12c   12 years FrederikHeber FragmentQueue is now observable. - this is preparatory for allowing …
FragmentResultUnitTest.cpp 2.9 KB ​ 7670865   13 years FrederikHeber Moved FragmentResult to subfolder Results. - changed includes and …
FragmentResultUnitTest.hpp 868 bytes ​ 2445fb   13 years FrederikHeber Added private default cstor to FragmentResult. - enhanced unit test …
Makefile.am 6.4 KB ​ fb255d   12 years FrederikHeber WorkerPool is now observable. - this is preparatory for allowing …
MPQCCommandJobUnitTest.cpp 4.1 KB ​ 545446   13 years FrederikHeber Added serialization capability to MPQCCommandJob. - added unit test …
MPQCCommandJobUnitTest.hpp 898 bytes ​ 545446   13 years FrederikHeber Added serialization capability to MPQCCommandJob. - added unit test …
MPQCDataUnitTest.cpp 3.3 KB ​ cc276e   13 years FrederikHeber Added MPQCCommandJob and result container MPQCData. - MPQCData …
MPQCDataUnitTest.hpp 778 bytes ​ cc276e   13 years FrederikHeber Added MPQCCommandJob and result container MPQCData. - MPQCData …
SystemCommandJobUnitTest.cpp 3.7 KB ​ d920b9   13 years FrederikHeber Abstracted FragmentJob and introduced SystemCommandJob which has its …
SystemCommandJobUnitTest.hpp 971 bytes ​ d920b9   13 years FrederikHeber Abstracted FragmentJob and introduced SystemCommandJob which has its …
WorkerAddressUnitTest.cpp 2.7 KB ​ edbf88   13 years FrederikHeber Added WorkerAddress, serializable host+service address. - also added …
WorkerAddressUnitTest.hpp 824 bytes ​ edbf88   13 years FrederikHeber Added WorkerAddress, serializable host+service address. - also added …
WorkerPoolUnitTest.cpp 6.0 KB ​ 6b3a37   12 years FrederikHeber Added begin(),end() for idle_queue of WorkerPool. - this allows …
WorkerPoolUnitTest.hpp 917 bytes ​ fb255d   12 years FrederikHeber WorkerPool is now observable. - this is preparatory for allowing …
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