source: src/Actions@ 533838

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
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AnalysisAction 5cb3cb   14 years FrederikHeber converted RemoveAction to new createDialog() and uses selectedAtoms.
AtomAction 8d4100   14 years FrederikHeber BUGFIX: AtomChangeElementAction wrongly expected vector of elements …
CmdAction 3e54d0   14 years FrederikHeber converted VersionAction to new createDialog() and implemented trivial …
FragmentationAction 1015fd   14 years FrederikHeber converted SubgraphDissectionAction to new createDialog().
MoleculeAction bcd16a   14 years FrederikHeber converted VerletIntegrationAction to new createDialog().
ParserAction ce8755   14 years FrederikHeber converted SaveXyzAction to new createDialog().
SelectionAction e2009b   14 years FrederikHeber Added a number of SelectionActions. - (un)select atom/molecule. - not …
TesselationAction ff4fd2a   14 years FrederikHeber converted NonConvexEnvelopeAction to new createDialog().
WorldAction 3037be   14 years FrederikHeber WorldChangeBoxAction::performCall() - don't need cell_size from the …
Action.cpp 1.8 KB ​ e2f3114   14 years FrederikHeber MissingValueException is not caught in Action::call() anymore.
Action.hpp 19.1 KB ​ 6bf52f   14 years FrederikHeber BUGFIX: default flag of call was NonInteractive instead of Interactive.
ActionHistory.cpp 3.1 KB ​ 655c98   14 years FrederikHeber Some derived Actions lacked return NULL in createDialog(). - Actions …
ActionHistory.hpp 2.0 KB ​ 80951de   14 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
ActionRegistry.cpp 3.4 KB ​ d0fbec   15 years FrederikHeber Added const_iterator get[Begin\End]Iter() and ostream& operator << to …
ActionRegistry.hpp 1021 bytes ​ 986ed3   15 years Till Crueger COMPILE_SPEEDUP: Replaced all implicit inclusions of iostream with forwards
ActionSequence.cpp 4.1 KB ​ 4e145c   14 years FrederikHeber Actions can now be called non-interactively, MissingValueException …
ActionSequence.hpp 852 bytes ​ 80951de   14 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
AtomsCalculation.hpp 549 bytes ​ b54ac8   15 years Till Crueger Added templates that allow arbitrary calculations on atoms to be …
AtomsCalculation_impl.hpp 1.1 KB ​ fa0b18   15 years Till Crueger Added Observed and Selectiv iterators over internal Structures of the …
Calculation.hpp 1.7 KB ​ 80951de   14 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
Calculation_impl.hpp 1.6 KB ​ 80951de   14 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
ErrorAction.cpp 982 bytes ​ 655c98   14 years FrederikHeber Some derived Actions lacked return NULL in createDialog(). - Actions …
ErrorAction.hpp 654 bytes ​ 80951de   14 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
Makefile.am 5.3 KB ​ d02e07   14 years FrederikHeber Split PairCorrelation into Pair, Point and SurfaceCorrelation. - also …
MakroAction.cpp 1.8 KB ​ 80951de   14 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
MakroAction.hpp 829 bytes ​ 80951de   14 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
ManipulateAtomsProcess.cpp 1.5 KB ​ 655c98   14 years FrederikHeber Some derived Actions lacked return NULL in createDialog(). - Actions …
ManipulateAtomsProcess.hpp 922 bytes ​ 80951de   14 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
MapOfActions.cpp 43.9 KB ​ 39b639   14 years FrederikHeber Lots of small fixes to MapOfActions: - MapOfActions::TypeEnumMap …
MapOfActions.hpp 9.7 KB ​ 85f35e   14 years FrederikHeber BUGFIX: setCurrentValue was not correctly templated.
MethodAction.cpp 1.0 KB ​ 655c98   14 years FrederikHeber Some derived Actions lacked return NULL in createDialog(). - Actions …
MethodAction.hpp 848 bytes ​ 80951de   14 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
Process.cpp 1.9 KB ​ da3024   15 years FrederikHeber Fixed various compiler warnings. - Process::Process() - Action and …
Process.hpp 2.2 KB ​ 2efa90   15 years Till Crueger Added detailed documentation for the Action class
Values.hpp 303 bytes ​ 0286bc   15 years FrederikHeber BUGFIX: ListOfDoubles changed to Box and Vector. - ListOfDoubles is …
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