source: src/Fragmentation/Automation@ ff60cfa

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
../
unittests 306f60   13 years FrederikHeber Extended MPQCCommandJob's extractString to understand MP2 keywords.
Results 7670865   13 years FrederikHeber Moved FragmentResult to subfolder Results. - changed includes and …
Jobs 306f60   13 years FrederikHeber Extended MPQCCommandJob's extractString to understand MP2 keywords.
Controller d920b9   13 years FrederikHeber Abstracted FragmentJob and introduced SystemCommandJob which has its …
Worker.cpp 1.4 KB ​ d920b9   13 years FrederikHeber Abstracted FragmentJob and introduced SystemCommandJob which has its …
types.hpp 333 bytes ​ 778abb   13 years FrederikHeber Added ResultGetter and capabilities to receive calculated results to …
Server.cpp 1.6 KB ​ 778abb   13 years FrederikHeber Added ResultGetter and capabilities to receive calculated results to …
Makefile.am 4.2 KB ​ ff60cfa   13 years FrederikHeber Controller has new function addjobs. - addjobs parses mpqc input file …
JobId.hpp 836 bytes ​ c7deca   13 years FrederikHeber Added static NoJob (id0) to FragmentScheduler to indicate empty queue …
JobId.cpp 864 bytes ​ b05673   13 years FrederikHeber Introduced JobId as an own class that Job and Result inherit. - …
GlobalJobId.hpp 360 bytes ​ ff60cfa   13 years FrederikHeber Controller has new function addjobs. - addjobs parses mpqc input file …
GlobalJobId.cpp 599 bytes ​ ff60cfa   13 years FrederikHeber Controller has new function addjobs. - addjobs parses mpqc input file …
FragmentWorker.hpp 1.6 KB ​ 35f587   13 years FrederikHeber FragmentResult is now also encapsulated in boost::shared_ptr. - this …
FragmentWorker.cpp 5.0 KB ​ 306f60   13 years FrederikHeber Extended MPQCCommandJob's extractString to understand MP2 keywords.
FragmentScheduler.hpp 3.2 KB ​ 7670865   13 years FrederikHeber Moved FragmentResult to subfolder Results. - changed includes and …
FragmentScheduler.cpp 11.4 KB ​ ff60cfa   13 years FrederikHeber Controller has new function addjobs. - addjobs parses mpqc input file …
FragmentQueue.hpp 1.8 KB ​ 7670865   13 years FrederikHeber Moved FragmentResult to subfolder Results. - changed includes and …
FragmentQueue.cpp 5.7 KB ​ 35f587   13 years FrederikHeber FragmentResult is now also encapsulated in boost::shared_ptr. - this …
ControllerChoices.hpp 434 bytes ​ 0196c6   13 years FrederikHeber Added Shutdown as choice to ControllerChoices. - new helper app …
controller.cpp 7.9 KB ​ ff60cfa   13 years FrederikHeber Controller has new function addjobs. - addjobs parses mpqc input file …
Connection.hpp 5.4 KB ​ af3aed   13 years FrederikHeber Introduced Info in several functions, replaced connection.hpp by …
atexit.hpp 229 bytes ​ f7f995   13 years FrederikHeber Renamed file server.cpp -> Server.cpp.
atexit.cpp 959 bytes ​ 630a6e   13 years FrederikHeber Increased Verbosity for Server and Worker.
  • Property mode set to 040000
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