source: src/Actions@ 936a02

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 f89b45   13 years FrederikHeber Added Reaction CalculateBoundingBoxAction. - calculate bounding box …
AtomAction 47d041   13 years FrederikHeber HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
CommandAction 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
FragmentationAction 41a467   13 years FrederikHeber LARGE: config class is now just a tiny container. - this was …
GraphAction 41a467   13 years FrederikHeber LARGE: config class is now just a tiny container. - this was …
MoleculeAction 41a467   13 years FrederikHeber LARGE: config class is now just a tiny container. - this was …
ParserAction 47d041   13 years FrederikHeber HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
RandomNumbersAction 47d041   13 years FrederikHeber HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
SelectionAction 47d041   13 years FrederikHeber HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
TesselationAction 47d041   13 years FrederikHeber HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
unittests 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
WorldAction 9d613f   13 years FrederikHeber FIX: RepeatBoxAction did not use CopyMolecule() but copied by hand. …
Action.cpp 6.5 KB ​ dfef3f   13 years FrederikHeber FIX: empty states Action::success and ::failure are now managed by …
Action.hpp 8.1 KB ​ dfef3f   13 years FrederikHeber FIX: empty states Action::success and ::failure are now managed by …
Action_impl_header.hpp 7.5 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
Action_impl_pre.hpp 9.3 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
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 ​ dfef3f   13 years FrederikHeber FIX: empty states Action::success and ::failure are now managed by …
ActionHistory.hpp 1.3 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionRegistry.cpp 2.7 KB ​ 83e90c   13 years FrederikHeber New function ActionRegistry::fillRegistry() fills instead of static …
ActionRegistry.hpp 1017 bytes ​ 83e90c   13 years FrederikHeber New function ActionRegistry::fillRegistry() fills instead of static …
ActionSequence.cpp 3.7 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionSequence.hpp 894 bytes ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionTrait.cpp 5.1 KB ​ 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 …
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 ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ErrorAction.hpp 808 bytes ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
GlobalListOfActions.hpp 2.7 KB ​ f89b45   13 years FrederikHeber Added Reaction CalculateBoundingBoxAction. - calculate bounding box …
Makefile.am 22.0 KB ​ 48d3c0   13 years FrederikHeber DISTCHECKFIX: Added some missing header files in src/Actions. - some …
MakroAction.cpp 2.2 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
MakroAction.hpp 1006 bytes ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ManipulateAtomsProcess.cpp 1.9 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ManipulateAtomsProcess.hpp 1.1 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
MethodAction.cpp 1.5 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
MethodAction.hpp 1.0 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
OptionRegistry.cpp 3.9 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
OptionRegistry.hpp 954 bytes ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
OptionTrait.cpp 4.3 KB ​ d41313   13 years FrederikHeber Added output operators for both ActionTraits and OptionTrait.
OptionTrait.hpp 1.4 KB ​ d41313   13 years FrederikHeber Added output operators for both ActionTraits and OptionTrait.
Process.cpp 2.2 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
Process.hpp 2.3 KB ​ 3139b2   13 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
pyMoleCuilder.cpp 4.3 KB ​ f89b45   13 years FrederikHeber Added Reaction CalculateBoundingBoxAction. - calculate bounding box …
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 ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
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 ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
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 …
Values.cpp 1.1 KB ​ 528b3e   14 years FrederikHeber Added conversion functions to VectorValue and BoxValue and changed …
Values.hpp 1001 bytes ​ 06aedc   14 years FrederikHeber libMolecuilderLinearAlgebra is now a self-contained library fit for …
ValueStorage.cpp 18.0 KB ​ 47d041   13 years FrederikHeber HUGE: Removed all calls to Log(), eLog(), replaced by LOG() and …
ValueStorage.hpp 9.0 KB ​ 88ba1f   13 years FrederikHeber Added Action's COMMAND_stringargs() function call. - also added …
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