source: src/Fragmentation/Automation@ 2199c2

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 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 EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions 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 IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
VMGFragmentController.hpp 3.2 KB ​ 666e9e   9 years FrederikHeber VMGFragmentController and FragmentationAutomationAction accept …
VMGFragmentController.cpp 6.5 KB ​ 4f42c9   9 years FrederikHeber VMGFragmentController uses atom's particlename to get associated …
VMGDebugGridFragmentController.hpp 1.6 KB ​ d4eaf1   11 years FrederikHeber Renamed ResultContainer -> ReceivedResultContainer. - this belongs to …
VMGDebugGridFragmentController.cpp 1.9 KB ​ f6c19d   11 years FrederikHeber InterfaceVMGDebugJob now also uses optionally open boundary (FAS …
SpecificFragmentController_ReceiveResultContainer_impl.hpp 2.4 KB ​ ca09be   10 years FrederikHeber FIX: FragmentationAutomationAction checks FragmentControllers' …
SpecificFragmentController.hpp 2.7 KB ​ a498c1   11 years FrederikHeber Extracted ResultContainer from ReceiveResultContainer.
SpecificFragmentController.cpp 1.9 KB ​ d9f2b3   11 years FrederikHeber SpecificFragmentController has a ref to an updatehandler to call in …
ResultContainer_impl.hpp 2.4 KB ​ 7537d1   9 years FrederikHeber Removing setting net force to zero and setting hasForce to true.
ResultContainer.hpp 1.5 KB ​ a498c1   11 years FrederikHeber Extracted ResultContainer from ReceiveResultContainer.
MPQCFragmentController.hpp 1.9 KB ​ d4eaf1   11 years FrederikHeber Renamed ResultContainer -> ReceivedResultContainer. - this belongs to …
MPQCFragmentController.cpp 2.4 KB ​ 07ecc5   10 years FrederikHeber FIX: FragmentationAutomationAction did not fail correctly with …
MPQCCommandFragmentController.hpp 2.8 KB ​ b569b8   10 years FrederikHeber FIX: MPQCCommandFragmentController failed to add jobs due to false …
MPQCCommandFragmentController.cpp 3.6 KB ​ b569b8   10 years FrederikHeber FIX: MPQCCommandFragmentController failed to add jobs due to false …
Makefile.am 4.0 KB ​ 3b35e7   10 years FrederikHeber Fixes due to update to Ubuntu 14.04. - subdir-objects is default …
FragmentJobQueue.hpp 3.6 KB ​ fbf143   12 years FrederikHeber Placed Containers, Converter, and SetValues as subfolders into …
FragmentJobQueue.cpp 4.6 KB ​ a953c4   12 years FrederikHeber Using priorizing of jobs. - we now require JobMarket 1.1.4. - …
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