source: src/Actions@ e2b47c

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
../
AnalysisAction 623e89   15 years FrederikHeber Compilation took ages because of CommandLineParser.hpp being …
AtomAction d55743e   15 years FrederikHeber Case 'r' is now handled by CommandLineUI.
CmdAction 39af9f   15 years FrederikHeber Case 'g' is now handled by CommandLineUI.
FragmentationAction 623e89   15 years FrederikHeber Compilation took ages because of CommandLineParser.hpp being …
MoleculeAction 9907e7   15 years FrederikHeber Case '-F' is now handled by CommandLineUI. - FIX: …
ParserAction 97ebf8   15 years FrederikHeber Added all commands defined in ParseCommandLineOptions() as Actions. - …
TesselationAction 97ebf8   15 years FrederikHeber Added all commands defined in ParseCommandLineOptions() as Actions. - …
WorldAction e2b47c   15 years FrederikHeber Case 'R' is now handled by CommandLineUI. - again, for each atom to …
Action.cpp 1.3 KB ​ 632bc3   15 years Till Crueger Added a small memory tracker to the programm.
Action.hpp 18.5 KB ​ 8a34392   15 years Till Crueger Improved documentation for the Action pattern
ActionHistory.cpp 2.9 KB ​ 632bc3   15 years Till Crueger Added a small memory tracker to the programm.
ActionHistory.hpp 2.0 KB ​ f9352d   15 years Till Crueger Added mechanism that deactivates undo and redo menupoint if not applicable
ActionRegistry.cpp 1.5 KB ​ 1e6913   15 years FrederikHeber Order of actions called did not conincide with order on command line. …
ActionRegistry.hpp 782 bytes ​ 1e6913   15 years FrederikHeber Order of actions called did not conincide with order on command line. …
ActionSequence.cpp 3.1 KB ​ 2efa90   15 years Till Crueger Added detailed documentation for the Action class
ActionSequence.hpp 754 bytes ​ 2efa90   15 years Till Crueger Added detailed documentation for the Action class
AtomsCalculation.hpp 549 bytes ​ b54ac8   15 years Till Crueger Added templates that allow arbitrary calculations on atoms to be …
AtomsCalculation_impl.hpp 1.0 KB ​ 6e97e5   15 years Till Crueger Added a generic Iterator that can be used to iterate only over certain …
Calculation.hpp 1.7 KB ​ 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
Calculation_impl.hpp 1.5 KB ​ 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
ErrorAction.cpp 893 bytes ​ 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
ErrorAction.hpp 620 bytes ​ 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
Makefile.am 4.5 KB ​ 104524   15 years FrederikHeber Changed PairCorrelationAction to incorporate all three cases and …
MakroAction.cpp 1.7 KB ​ 2efa90   15 years Till Crueger Added detailed documentation for the Action class
MakroAction.hpp 794 bytes ​ 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
ManipulateAtomsProcess.cpp 1.4 KB ​ 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
ManipulateAtomsProcess.hpp 888 bytes ​ 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
MapOfActions.cpp 23.2 KB ​ e2b47c   15 years FrederikHeber Case 'R' is now handled by CommandLineUI. - again, for each atom to …
MapOfActions.hpp 1.7 KB ​ 7e6b00   15 years FrederikHeber FIX: Sequence of actions called from command line is now corrected. - …
MethodAction.cpp 972 bytes ​ 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
MethodAction.hpp 813 bytes ​ 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
Process.cpp 1.8 KB ​ 2efa90   15 years Till Crueger Added detailed documentation for the Action class
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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