source: src/Actions@ 43c79a

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 Candidate_v1.7.0 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 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
unittests 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
TesselationAction 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ShapeAction 6131d8   13 years FrederikHeber CreateShapeAction added
SelectionAction eff536   13 years FrederikHeber AllAtomsInsideCuboid/SphereAction > AllAtomsInsideVolumeAction (using …
RandomNumbersAction 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ParserAction 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
MoleculeAction 3a51bd   13 years FrederikHeber Added new StretchBondAction to stretch the bond within a molecule. - …
GraphAction 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
FragmentationAction 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
FillAction 09eaac   13 years FrederikHeber FillSphericalSurfaceAction > FillSurfaceAction (using shape factory)
CommandAction 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
AtomAction 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
AnalysisAction 94d5ac6   13 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   13 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   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
UndoAction.hpp 327 bytes ​ e4afb4   15 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   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
RedoAction.hpp 327 bytes ​ e4afb4   15 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   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
Reaction_impl_pre.hpp 7.2 KB ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
Reaction_impl_header.hpp 7.3 KB ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
Reaction_impl.hpp 1.6 KB ​ 1540859   14 years FrederikHeber Added Reaction as Action with a return value. - this is derived from …
Reaction.hpp 1.9 KB ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
pyMoleCuilder.cpp 4.9 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
Process.hpp 2.3 KB ​ 02ce36   14 years FrederikHeber We now require CodePatterns 1.2.0. - this is due to the updated …
Process.cpp 2.8 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
OptionTrait.hpp 1.4 KB ​ d41313   14 years FrederikHeber Added output operators for both ActionTraits and OptionTrait.
OptionTrait.cpp 4.9 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
OptionRegistry.hpp 954 bytes ​ ce7fdc   14 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
OptionRegistry.cpp 4.5 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
MethodAction.hpp 984 bytes ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
MethodAction.cpp 2.1 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ManipulateAtomsProcess.hpp 1.0 KB ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
ManipulateAtomsProcess.cpp 2.5 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
MakroAction.hpp 958 bytes ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
MakroAction.cpp 2.8 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
Makefile.am 24.2 KB ​ 6131d8   13 years FrederikHeber CreateShapeAction added
GlobalListOfActions.hpp 3.5 KB ​ 6131d8   13 years FrederikHeber CreateShapeAction added
ErrorAction.hpp 760 bytes ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
ErrorAction.cpp 1.9 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
Calculation_impl.hpp 1.6 KB ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
Calculation.hpp 1.8 KB ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
AtomsCalculation_impl.hpp 1.3 KB ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
AtomsCalculation.hpp 717 bytes ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ActionTraits.hpp 798 bytes ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ActionTrait.hpp 1.8 KB ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ActionTrait.cpp 5.8 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ActionSequence.hpp 894 bytes ​ ce7fdc   14 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionSequence.cpp 4.4 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ActionRegistry.hpp 1.7 KB ​ 2aad5a   13 years FrederikHeber FIX: ActionRegistry now sets flag completely_instantiated when after …
ActionRegistry.cpp 3.5 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ActionHistory.hpp 1.3 KB ​ ce7fdc   14 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionHistory.cpp 2.9 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
ActionExceptions.hpp 864 bytes ​ e5c233   14 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 ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
Action_impl_pre.hpp 11.3 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
Action_impl_header.hpp 8.1 KB ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
Action.hpp 9.7 KB ​ 5ca6b5   13 years ankele drop deprecated references to ValueStorage
Action.cpp 7.2 KB ​ 94d5ac6   13 years FrederikHeber FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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