source: src/Actions@ 3839e5

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 2a374e   14 years FrederikHeber MEMFIX: AnalysisPairCorrelationAction::performCall() did not free …
AtomAction 84c494   15 years Till Crueger Made the world store the cell_size within a Box object.
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 36166d   14 years Till Crueger Removed left over parts from old memory-tracker
ParserAction a1e929   15 years FrederikHeber Case 'p' is now handled by CommandLineUI. - ~XyzParser() did destroy …
TesselationAction bdc91e   14 years FrederikHeber MEMFIXES: Tesselation routines were leaking memory. - …
WorldAction b9c847   14 years FrederikHeber New SetOutputFormatsAction introduced. Fixes: - World::setDomain() is …
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 1021 bytes ​ 986ed3   14 years Till Crueger COMPILE_SPEEDUP: Replaced all implicit inclusions of iostream with forwards
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 1.1 KB ​ fa0b18   14 years Till Crueger Added Observed and Selectiv iterators over internal Structures of the …
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 ​ fa0b18   14 years Till Crueger Added Observed and Selectiv iterators over internal Structures of the …
ManipulateAtomsProcess.hpp 888 bytes ​ 5b0b98   15 years Till Crueger Switched type of pointer used for ActionStates
MapOfActions.cpp 34.6 KB ​ b540f3   14 years FrederikHeber changed validate() for VectorValue, parsing not 10. 10. 10. but "10., …
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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