source: src/Actions/AnalysisAction@ fae462

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
../
AverageMoleculeForceAction.cpp 2.8 KB ​ f4b626a   10 years FrederikHeber Added AverageMoleculeForceAction for measuring average force acting on …
AverageMoleculeForceAction.def 947 bytes ​ f4b626a   10 years FrederikHeber Added AverageMoleculeForceAction for measuring average force acting on …
AverageMoleculeForceAction.hpp 407 bytes ​ f4b626a   10 years FrederikHeber Added AverageMoleculeForceAction for measuring average force acting on …
DipoleAngularCorrelationAction.cpp 5.6 KB ​ 7ee21d   10 years FrederikHeber MEMFIX: Many analysis_correlation function allocated return map twice. …
DipoleAngularCorrelationAction.def 2.2 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
DipoleAngularCorrelationAction.hpp 419 bytes ​ 208237b   13 years FrederikHeber Renamed DipoleAngularCorrelation(Action) -> DipoleCorrelation(Action) …
DipoleCorrelationAction.cpp 3.1 KB ​ 7ee21d   10 years FrederikHeber MEMFIX: Many analysis_correlation function allocated return map twice. …
DipoleCorrelationAction.def 1.9 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
DipoleCorrelationAction.hpp 383 bytes ​ 208237b   13 years FrederikHeber Renamed DipoleAngularCorrelation(Action) -> DipoleCorrelation(Action) …
MolecularVolumeAction.cpp 3.4 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
MolecularVolumeAction.def 951 bytes ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
MolecularVolumeAction.hpp 382 bytes ​ 9ee38b   14 years FrederikHeber Extended macro framework. Extensions: - all central definitions …
PairCorrelationAction.cpp 3.8 KB ​ 7ee21d   10 years FrederikHeber MEMFIX: Many analysis_correlation function allocated return map twice. …
PairCorrelationAction.def 2.2 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
PairCorrelationAction.hpp 373 bytes ​ 9ee38b   14 years FrederikHeber Extended macro framework. Extensions: - all central definitions …
PointCorrelationAction.cpp 3.4 KB ​ 7ee21d   10 years FrederikHeber MEMFIX: Many analysis_correlation function allocated return map twice. …
PointCorrelationAction.def 2.3 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
PointCorrelationAction.hpp 378 bytes ​ 9ee38b   14 years FrederikHeber Extended macro framework. Extensions: - all central definitions …
PrincipalAxisSystemAction.cpp 2.7 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
PrincipalAxisSystemAction.def 1.0 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
PrincipalAxisSystemAction.hpp 395 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
SurfaceCorrelationAction.cpp 4.6 KB ​ 7ee21d   10 years FrederikHeber MEMFIX: Many analysis_correlation function allocated return map twice. …
SurfaceCorrelationAction.def 2.1 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
SurfaceCorrelationAction.hpp 389 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
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