source: src/Actions@ ba9f5b

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 2a374e   14 years FrederikHeber MEMFIX: AnalysisPairCorrelationAction::performCall() did not free …
AtomAction 86cff86   14 years FrederikHeber InputAction now parses all possible formats, not only pcp. - new …
CmdAction a3fded   15 years FrederikHeber New class ThermoStatContainer containing all parameters and changes to …
FragmentationAction c27778   14 years FrederikHeber MEMFIXES: ListOfLocalAtoms in molecule::FragmentMolecule() was not …
MoleculeAction ef7d30   14 years FrederikHeber MEMFIX: ForceMatrix in VelocityVerletIntegration had a stupid offset. …
ParserAction ed6dd8   14 years FrederikHeber FIX: newly parsed-in atoms should always end up in their own molecule …
TesselationAction bdc91e   14 years FrederikHeber MEMFIXES: Tesselation routines were leaking memory. - …
WorldAction 86cff86   14 years FrederikHeber InputAction now parses all possible formats, not only pcp. - new …
Action.cpp 1.3 KB 6d6b54   15 years Till Crueger Made the memory-tracker output the function from which it was called.
Action.hpp 18.5 KB 8a34392   15 years Till Crueger Improved documentation for the Action pattern
ActionHistory.cpp 3.0 KB 112b09   15 years Till Crueger Added #include "Helpers/MemDebug.hpp" to all .cpp files
ActionHistory.hpp 2.0 KB f9352d   15 years Till Crueger Added mechanism that deactivates undo and redo menupoint if not applicable
ActionRegistry.cpp 3.4 KB d0fbec   15 years FrederikHeber Added const_iterator get[Begin\End]Iter() and ostream& operator << to …
ActionRegistry.hpp 1023 bytes d0fbec   15 years FrederikHeber Added const_iterator get[Begin\End]Iter() and ostream& operator << to …
ActionSequence.cpp 3.1 KB 112b09   15 years Till Crueger Added #include "Helpers/MemDebug.hpp" to all .cpp files
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 926 bytes 112b09   15 years Till Crueger Added #include "Helpers/MemDebug.hpp" to all .cpp files
ErrorAction.hpp 620 bytes 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
Makefile.am 4.7 KB 361ba7   14 years FrederikHeber Trailing whitespace in src/Actions/Makefile.am
MakroAction.cpp 1.8 KB 112b09   15 years Till Crueger Added #include "Helpers/MemDebug.hpp" to all .cpp files
MakroAction.hpp 794 bytes 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
ManipulateAtomsProcess.cpp 1.4 KB 112b09   15 years Till Crueger Added #include "Helpers/MemDebug.hpp" to all .cpp files
ManipulateAtomsProcess.hpp 888 bytes 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
MapOfActions.cpp 34.6 KB 86cff86   14 years FrederikHeber InputAction now parses all possible formats, not only pcp. - new …
MapOfActions.hpp 6.5 KB cd8e55   14 years FrederikHeber New StringsQuery that returns space-separated vector of strings. …
MethodAction.cpp 1005 bytes 112b09   15 years Till Crueger Added #include "Helpers/MemDebug.hpp" to all .cpp files
MethodAction.hpp 813 bytes 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
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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