source: src/Actions@ cc32d0

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 7951b9   13 years FrederikHeber Rewrote SurfaceCorrelationAction such that selected atoms are used in …
AtomAction d555b8   13 years FrederikHeber Atom/RotateAroundOriginByAngleAction: recalculating radians - doesn't …
CommandAction 688fb6   13 years FrederikHeber FIX: VerboseAction requires _unsigned_ int as verbose parameter.
FillAction 8d9b41   13 years FrederikHeber FIX: FillSphericalSurfaceAction requires _unsigned_ int for count …
FragmentationAction 8ac11f   13 years FrederikHeber FIX: FragmentationAction requires _unsigned_ int for Order parameter.
GraphAction f10b0c   13 years FrederikHeber disastrously big and ugly commit - using new Parameter<T> classes: …
MoleculeAction eced82   13 years FrederikHeber FIX: VerletIntegrationAction requires _unsigned_ int parameter for MDSteps.
ParserAction e2ff7e   13 years FrederikHeber FIX: SaveSelectedAtomsAsExtTypesAction requires _unsigned_ int for …
RandomNumbersAction a483e4   13 years FrederikHeber SetRandomNumbersDistributionAction does not request complex …
SelectionAction cc32d0   13 years FrederikHeber FIX: (Not)MoleculeByIdAction requires moleculeId_t for parameter molindex.
TesselationAction f10b0c   13 years FrederikHeber disastrously big and ugly commit - using new Parameter<T> classes: …
unittests 7d9416   13 years FrederikHeber Turned query<Box> into query<RealSpaceMatrix> - CenterInBox and …
WorldAction 7d9416   13 years FrederikHeber Turned query<Box> into query<RealSpaceMatrix> - CenterInBox and …
Action.cpp 6.7 KB ​ 95f965   13 years FrederikHeber QtQueries only set default values if not already set - added …
Action.hpp 9.9 KB ​ f10b0c   13 years FrederikHeber disastrously big and ugly commit - using new Parameter<T> classes: …
Action_impl_header.hpp 7.6 KB ​ f10b0c   13 years FrederikHeber disastrously big and ugly commit - using new Parameter<T> classes: …
Action_impl_pre.hpp 9.2 KB ​ f10b0c   13 years FrederikHeber disastrously big and ugly commit - using new Parameter<T> classes: …
Action_impl_python.hpp 4.2 KB ​ d628da   13 years FrederikHeber Added docstring also to python exported functions without any …
Action_impl_undef.hpp 444 bytes ​ 6aa485   13 years FrederikHeber Actions exported to Python may contain a returntype. - returntype is …
ActionExceptions.hpp 864 bytes ​ e5c233   13 years FrederikHeber FIX: replaced boost/exception.hpp by boost/exception/all.hpp.
ActionHistory.cpp 2.1 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
ActionHistory.hpp 1.3 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionRegistry.cpp 2.7 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
ActionRegistry.hpp 1.4 KB ​ b2c302   13 years FrederikHeber DOCU: Extended documentation on how values from the user are …
ActionSequence.cpp 3.8 KB ​ 955b91   13 years FrederikHeber FIX: Removed using namespace std in Vector.hpp. - this caused some …
ActionSequence.hpp 894 bytes ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionTrait.cpp 5.1 KB ​ 955b91   13 years FrederikHeber FIX: Removed using namespace std in Vector.hpp. - this caused some …
ActionTrait.hpp 1.8 KB ​ 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 …
AtomsCalculation.hpp 717 bytes ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
AtomsCalculation_impl.hpp 1.3 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
Calculation.hpp 1.8 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
Calculation_impl.hpp 1.7 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ErrorAction.cpp 1.3 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
ErrorAction.hpp 808 bytes ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
GlobalListOfActions.hpp 2.9 KB ​ 531f27   13 years FrederikHeber Added SaveSelectedAtomsAsExtTypesAction that creates a …
Makefile.am 23.5 KB ​ 531f27   13 years FrederikHeber Added SaveSelectedAtomsAsExtTypesAction that creates a …
MakroAction.cpp 2.2 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
MakroAction.hpp 1006 bytes ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ManipulateAtomsProcess.cpp 1.9 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
ManipulateAtomsProcess.hpp 1.1 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
MethodAction.cpp 1.5 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
MethodAction.hpp 1.0 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
OptionRegistry.cpp 3.9 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
OptionRegistry.hpp 954 bytes ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
OptionTrait.cpp 4.3 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
OptionTrait.hpp 1.4 KB ​ d41313   13 years FrederikHeber Added output operators for both ActionTraits and OptionTrait.
Process.cpp 2.2 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
Process.hpp 2.3 KB ​ 02ce36   13 years FrederikHeber We now require CodePatterns 1.2.0. - this is due to the updated …
pyMoleCuilder.cpp 4.3 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
Reaction.hpp 2.0 KB ​ 1540859   13 years FrederikHeber Added Reaction as Action with a return value. - this is derived from …
Reaction_impl.hpp 1.6 KB ​ 1540859   13 years FrederikHeber Added Reaction as Action with a return value. - this is derived from …
Reaction_impl_header.hpp 7.4 KB ​ 1540859   13 years FrederikHeber Added Reaction as Action with a return value. - this is derived from …
Reaction_impl_pre.hpp 7.7 KB ​ 1540859   13 years FrederikHeber Added Reaction as Action with a return value. - this is derived from …
RedoAction.cpp 1.3 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
RedoAction.def 806 bytes ​ e4afb4   14 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
RedoAction.hpp 327 bytes ​ e4afb4   14 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
UndoAction.cpp 1.3 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
UndoAction.def 802 bytes ​ e4afb4   14 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
UndoAction.hpp 327 bytes ​ e4afb4   14 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
UndoRedoHelpers.cpp 4.2 KB ​ 8ea3e7   13 years FrederikHeber CopyMolecule can now copy all currently selected molecules. - this is …
UndoRedoHelpers.hpp 2.2 KB ​ 8ea3e7   13 years FrederikHeber CopyMolecule can now copy all currently selected molecules. - this is …
Values.cpp 1.2 KB ​ 7d9416   13 years FrederikHeber Turned query<Box> into query<RealSpaceMatrix> - CenterInBox and …
Values.hpp 1.0 KB ​ 7d9416   13 years FrederikHeber Turned query<Box> into query<RealSpaceMatrix> - CenterInBox and …
ValueStorage.cpp 18.0 KB ​ 0aa122   13 years FrederikHeber Updated all source files's copyright note to current year 2012.
ValueStorage.hpp 10.1 KB ​ b2c302   13 years FrederikHeber DOCU: Extended documentation on how values from the user are …
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