source: src/Actions@ d67e6c

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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WorldAction 2a8731   12 years FrederikHeber World now has channel TimeChanged. - FIX: SetWorldTimeAction uses now …
unittests 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
TesselationAction 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ShapeAction 12098a   12 years FrederikHeber Refactoring: use vector<Shape> instead of vector<Shape*> in …
SelectionAction 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
RandomNumbersAction 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
PotentialAction f5724f   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
ParserAction 3e93bd4   12 years FrederikHeber FIX: SetOutputFormatsAction fails on unknown parser type.
MoleculeAction bcb593   12 years FrederikHeber FIX: VerletIntegrationAction now assumes forces have just been …
GraphAction 1d3563   12 years FrederikHeber Main functions of ActionRegistry are now tunneled through ActionQueue.
FragmentationAction 1d3563   12 years FrederikHeber Main functions of ActionRegistry are now tunneled through ActionQueue.
FillAction f24af7   12 years FrederikHeber FIX: FillRegularGridAction is now usable with …
CommandAction 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
BondAction f63e41   12 years FrederikHeber Added Actions to add and remove a bond in between two atoms. - added …
AtomAction cb2465   12 years FrederikHeber FIX: Changed Atom's AddAction and RemoveAction header inclusion …
AnalysisAction 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
Values.hpp 1.0 KB ​ 7d9416   13 years FrederikHeber Turned query<Box> into query<RealSpaceMatrix> - CenterInBox and …
Values.cpp 1.8 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
UndoRedoHelpers.hpp 2.2 KB ​ 8ea3e7   13 years FrederikHeber CopyMolecule can now copy all currently selected molecules. - this is …
UndoRedoHelpers.cpp 4.8 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
UndoAction.hpp 327 bytes ​ e4afb4   14 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
UndoAction.def 861 bytes ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
UndoAction.cpp 1.9 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
RedoAction.hpp 327 bytes ​ e4afb4   14 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
RedoAction.def 865 bytes ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
RedoAction.cpp 1.9 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
Reaction_impl_pre.hpp 7.3 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
Reaction_impl_header.hpp 7.3 KB ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
Reaction_impl.hpp 1.6 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
Reaction.hpp 2.0 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
pyMoleCuilder.cpp 4.9 KB ​ 628577   12 years FrederikHeber Introduced ActionQueue which contains internal ActionRegistry. - …
Process.hpp 2.4 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
Process.cpp 2.8 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
OptionTrait.hpp 1.4 KB ​ d41313   13 years FrederikHeber Added output operators for both ActionTraits and OptionTrait.
OptionTrait.cpp 4.9 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
OptionRegistry.hpp 954 bytes ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
OptionRegistry.cpp 4.6 KB ​ 690741   12 years FrederikHeber Added getListOfActions() and getActionsTrait() to completely wrap …
MethodAction.hpp 1012 bytes ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
MethodAction.cpp 2.1 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
ManipulateAtomsProcess.hpp 1.0 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
ManipulateAtomsProcess.cpp 2.5 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
MakroAction_impl_pre.hpp 11.3 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
MakroAction_impl_header.hpp 8.5 KB ​ 9c1324   12 years FrederikHeber Equipped MakroAction with some boost::preprocessor magic, …
MakroAction.hpp 1.2 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
MakroAction.cpp 3.6 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
Makefile.am 28.3 KB ​ 628577   12 years FrederikHeber Introduced ActionQueue which contains internal ActionRegistry. - …
GlobalListOfActions.hpp 4.6 KB ​ f5724f   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
ErrorAction.hpp 766 bytes ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
ErrorAction.cpp 1.9 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
Calculation_impl.hpp 1.6 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
Calculation.hpp 1.8 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
AtomsCalculation_impl.hpp 1.3 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
AtomsCalculation.hpp 717 bytes ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ActionTraits.hpp 798 bytes ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ActionTrait.hpp 1.8 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ActionTrait.cpp 5.8 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ActionSequence.hpp 1.0 KB ​ 9c1324   12 years FrederikHeber Equipped MakroAction with some boost::preprocessor magic, …
ActionSequence.cpp 4.5 KB ​ 9c1324   12 years FrederikHeber Equipped MakroAction with some boost::preprocessor magic, …
ActionRegistry.hpp 1.6 KB ​ a6ceab   12 years FrederikHeber FIX: ActionRegistry's function now get ref to token string.
ActionRegistry.cpp 4.8 KB ​ a6ceab   12 years FrederikHeber FIX: ActionRegistry's function now get ref to token string.
ActionQueue.hpp 2.3 KB ​ a6ceab   12 years FrederikHeber FIX: ActionRegistry's function now get ref to token string.
ActionQueue.cpp 2.2 KB ​ a6ceab   12 years FrederikHeber FIX: ActionRegistry's function now get ref to token string.
ActionHistory.hpp 1.3 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionHistory.cpp 2.9 KB ​ 94d5ac6   12 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ActionExceptions.hpp 864 bytes ​ e5c233   13 years FrederikHeber FIX: replaced boost/exception.hpp by boost/exception/all.hpp.
Action_impl_undef.hpp 463 bytes ​ 649aaa   13 years FrederikHeber All Actions' .def files now have a paramvalids that is used to for …
Action_impl_python.hpp 4.5 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
Action_impl_pre.hpp 11.2 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
Action_impl_header.hpp 8.1 KB ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
Action.hpp 9.9 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
Action.cpp 7.0 KB ​ 0c8056   12 years FrederikHeber Actions now get ptr to ActionRegistry in cstor. - this is the last of …
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