source: src/Actions@ a3fded

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 a3fded   15 years FrederikHeber New class ThermoStatContainer containing all parameters and changes to …
FragmentationAction a3fded   15 years FrederikHeber New class ThermoStatContainer containing all parameters and changes to …
MoleculeAction a02462   15 years FrederikHeber Case 'L' is now handled by CommandLineUI.
ParserAction 97ebf8   15 years FrederikHeber Added all commands defined in ParseCommandLineOptions() as Actions. - …
TesselationAction 980dd6   15 years FrederikHeber Case 'N' is now handled by CommandLineUI. - TESTFIX: Tesselation/1 …
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 23.7 KB ​ 980dd6   15 years FrederikHeber Case 'N' is now handled by CommandLineUI. - TESTFIX: Tesselation/1 …
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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