source: src/Fragmentation/Automation@ 8036b7

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
../
Controller d1dbfc   13 years FrederikHeber New GetNextJobIdOperation for obtaining next available JobId from …
Jobs 509014   13 years FrederikHeber Added output stream operator to MPQCData.
Results 7670865   13 years FrederikHeber Moved FragmentResult to subfolder Results. - changed includes and …
unittests bf56f6   13 years FrederikHeber Added getPresentJobs() to FragmentQueue.
atexit.cpp 959 bytes 630a6e   13 years FrederikHeber Increased Verbosity for Server and Worker.
atexit.hpp 229 bytes f7f995   13 years FrederikHeber Renamed file server.cpp -> Server.cpp.
Connection.hpp 5.4 KB af3aed   13 years FrederikHeber Introduced Info in several functions, replaced connection.hpp by …
controller.cpp 13.9 KB 986885   13 years FrederikHeber Added specific Command to controller to receive mpqc results and …
ControllerChoices.hpp 450 bytes d1dbfc   13 years FrederikHeber New GetNextJobIdOperation for obtaining next available JobId from …
FragmentQueue.cpp 6.0 KB bf56f6   13 years FrederikHeber Added getPresentJobs() to FragmentQueue.
FragmentQueue.hpp 1.8 KB bf56f6   13 years FrederikHeber Added getPresentJobs() to FragmentQueue.
FragmentScheduler.cpp 11.3 KB 8036b7   13 years FrederikHeber Refactored Listener out of FragmentScheduler. - this is preparatory …
FragmentScheduler.hpp 4.6 KB 8036b7   13 years FrederikHeber Refactored Listener out of FragmentScheduler. - this is preparatory …
FragmentWorker.cpp 5.0 KB 306f60   13 years FrederikHeber Extended MPQCCommandJob's extractString to understand MP2 keywords.
FragmentWorker.hpp 1.6 KB 35f587   13 years FrederikHeber FragmentResult is now also encapsulated in boost::shared_ptr. - this …
GlobalJobId.cpp 633 bytes d1dbfc   13 years FrederikHeber New GetNextJobIdOperation for obtaining next available JobId from …
GlobalJobId.hpp 389 bytes d1dbfc   13 years FrederikHeber New GetNextJobIdOperation for obtaining next available JobId from …
JobId.cpp 864 bytes b05673   13 years FrederikHeber Introduced JobId as an own class that Job and Result inherit. - …
JobId.hpp 836 bytes c7deca   13 years FrederikHeber Added static NoJob (id0) to FragmentScheduler to indicate empty queue …
Listener.cpp 2.1 KB 8036b7   13 years FrederikHeber Refactored Listener out of FragmentScheduler. - this is preparatory …
Listener.hpp 1.7 KB 8036b7   13 years FrederikHeber Refactored Listener out of FragmentScheduler. - this is preparatory …
Makefile.am 4.4 KB 8036b7   13 years FrederikHeber Refactored Listener out of FragmentScheduler. - this is preparatory …
Server.cpp 1.6 KB 778abb   13 years FrederikHeber Added ResultGetter and capabilities to receive calculated results to …
types.hpp 333 bytes 778abb   13 years FrederikHeber Added ResultGetter and capabilities to receive calculated results to …
Worker.cpp 1.4 KB d920b9   13 years FrederikHeber Abstracted FragmentJob and introduced SystemCommandJob which has its …
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