source: src/Actions/AnalysisAction@ 361805

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
../
CalculateBoundingBoxAction.cpp 1.7 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
CalculateBoundingBoxAction.def 1.1 KB ​ 23958d   13 years FrederikHeber HUGE: All .def files now contain a useful paramvalids line. - many …
CalculateBoundingBoxAction.hpp 404 bytes ​ f89b45   13 years FrederikHeber Added Reaction CalculateBoundingBoxAction. - calculate bounding box …
CalculateCellVolumeAction.cpp 1.2 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
CalculateCellVolumeAction.def 1.0 KB ​ 23958d   13 years FrederikHeber HUGE: All .def files now contain a useful paramvalids line. - many …
CalculateCellVolumeAction.hpp 399 bytes ​ 54088a   13 years FrederikHeber Added first Reaction named CalculateCellVolumeAction. - this sets the …
CalculateMolarMassAction.cpp 1.4 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
CalculateMolarMassAction.def 1.0 KB ​ 23958d   13 years FrederikHeber HUGE: All .def files now contain a useful paramvalids line. - many …
CalculateMolarMassAction.hpp 394 bytes ​ 55f299   13 years FrederikHeber Added Reaction CalculateMolarMassAction. - calculate molar mass …
DipoleAngularCorrelationAction.cpp 4.9 KB ​ f10b0c   13 years FrederikHeber disastrously big and ugly commit - using new Parameter<T> classes: …
DipoleAngularCorrelationAction.def 2.1 KB ​ 23958d   13 years FrederikHeber HUGE: All .def files now contain a useful paramvalids line. - many …
DipoleAngularCorrelationAction.hpp 419 bytes ​ 208237b   13 years FrederikHeber Renamed DipoleAngularCorrelation(Action) -> DipoleCorrelation(Action) …
DipoleCorrelationAction.cpp 2.5 KB ​ f10b0c   13 years FrederikHeber disastrously big and ugly commit - using new Parameter<T> classes: …
DipoleCorrelationAction.def 1.8 KB ​ 23958d   13 years FrederikHeber HUGE: All .def files now contain a useful paramvalids line. - many …
DipoleCorrelationAction.hpp 383 bytes ​ 208237b   13 years FrederikHeber Renamed DipoleAngularCorrelation(Action) -> DipoleCorrelation(Action) …
MolecularVolumeAction.cpp 2.8 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
MolecularVolumeAction.def 945 bytes ​ 23958d   13 years FrederikHeber HUGE: All .def files now contain a useful paramvalids line. - many …
MolecularVolumeAction.hpp 382 bytes ​ 9ee38b   14 years FrederikHeber Extended macro framework. Extensions: - all central definitions …
PairCorrelationAction.cpp 3.2 KB ​ 7b1a19   13 years FrederikHeber FIX: Removed unneeded ranges in PairCorrelationAction::performCall().
PairCorrelationAction.def 2.1 KB ​ 8453b3   13 years FrederikHeber Exemplarily modified PairCorrelationAction.def to have specific …
PairCorrelationAction.hpp 373 bytes ​ 9ee38b   14 years FrederikHeber Extended macro framework. Extensions: - all central definitions …
PointCorrelationAction.cpp 2.8 KB ​ f10b0c   13 years FrederikHeber disastrously big and ugly commit - using new Parameter<T> classes: …
PointCorrelationAction.def 2.2 KB ​ 23958d   13 years FrederikHeber HUGE: All .def files now contain a useful paramvalids line. - many …
PointCorrelationAction.hpp 378 bytes ​ 9ee38b   14 years FrederikHeber Extended macro framework. Extensions: - all central definitions …
PrincipalAxisSystemAction.cpp 2.1 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
PrincipalAxisSystemAction.def 1.0 KB ​ 23958d   13 years FrederikHeber HUGE: All .def files now contain a useful paramvalids line. - many …
PrincipalAxisSystemAction.hpp 395 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
SurfaceCorrelationAction.cpp 3.9 KB ​ 7951b9   13 years FrederikHeber Rewrote SurfaceCorrelationAction such that selected atoms are used in …
SurfaceCorrelationAction.def 2.1 KB ​ 23958d   13 years FrederikHeber HUGE: All .def files now contain a useful paramvalids line. - many …
SurfaceCorrelationAction.hpp 389 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
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