source: src/Actions@ e32fa6

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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AnalysisAction ee0032   14 years FrederikHeber Extracted VolumeOfConvexEnvelope() from boundary and placed into class …
AtomAction 712886   14 years FrederikHeber Renamed Box::WrapPeriodically -> ::enforceBoundaryConditions.
CommandAction 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
FillAction 68abe5   14 years FrederikHeber Made Inserter::operator(), Filler::operator() return bool, used by …
FragmentationAction 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
GraphAction b49de6   14 years FrederikHeber FIX: DepthFirstSearchAction still expected parameter for maximum …
MoleculeAction 98c428   14 years FrederikHeber FormatParserStorage has now two convenience functions ::load(). - …
ParserAction 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
RandomNumbersAction 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
SelectionAction d927ab   14 years FrederikHeber Renamed AtomByShape -> AtomsByShape and speedup due to LinkedCell …
TesselationAction ee0032   14 years FrederikHeber Extracted VolumeOfConvexEnvelope() from boundary and placed into class …
unittests 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
WorldAction 912c40   14 years FrederikHeber FIX: AddEmptyBoundaryAction just returns Action::failure if there are …
Action.cpp 6.5 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
Action.hpp 8.1 KB ​ dfef3f   14 years FrederikHeber FIX: empty states Action::success and ::failure are now managed by …
Action_impl_header.hpp 7.5 KB ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
Action_impl_pre.hpp 9.3 KB ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
Action_impl_python.hpp 4.2 KB ​ d628da   14 years FrederikHeber Added docstring also to python exported functions without any …
Action_impl_undef.hpp 444 bytes ​ 6aa485   14 years FrederikHeber Actions exported to Python may contain a returntype. - returntype is …
ActionExceptions.hpp 864 bytes ​ e5c233   14 years FrederikHeber FIX: replaced boost/exception.hpp by boost/exception/all.hpp.
ActionHistory.cpp 2.1 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
ActionHistory.hpp 1.3 KB ​ ce7fdc   14 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionRegistry.cpp 2.7 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
ActionRegistry.hpp 1017 bytes ​ 83e90c   14 years FrederikHeber New function ActionRegistry::fillRegistry() fills instead of static …
ActionSequence.cpp 3.8 KB ​ 955b91   14 years FrederikHeber FIX: Removed using namespace std in Vector.hpp. - this caused some …
ActionSequence.hpp 894 bytes ​ ce7fdc   14 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionTrait.cpp 5.1 KB ​ 955b91   14 years FrederikHeber FIX: Removed using namespace std in Vector.hpp. - this caused some …
ActionTrait.hpp 1.8 KB ​ 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 …
AtomsCalculation.hpp 717 bytes ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
AtomsCalculation_impl.hpp 1.3 KB ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
Calculation.hpp 1.8 KB ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
Calculation_impl.hpp 1.7 KB ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ErrorAction.cpp 1.3 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
ErrorAction.hpp 808 bytes ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
GlobalListOfActions.hpp 2.8 KB ​ a88452   14 years FrederikHeber Added new Action subfolder, menu, and CommandLine options map, and …
Makefile.am 22.5 KB ​ a88452   14 years FrederikHeber Added new Action subfolder, menu, and CommandLine options map, and …
MakroAction.cpp 2.2 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
MakroAction.hpp 1006 bytes ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
ManipulateAtomsProcess.cpp 1.9 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
ManipulateAtomsProcess.hpp 1.1 KB ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
MethodAction.cpp 1.5 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
MethodAction.hpp 1.0 KB ​ 3139b2   14 years FrederikHeber Renamed ActionTrait and ActionTraits. - the specialized Trait …
OptionRegistry.cpp 3.9 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
OptionRegistry.hpp 954 bytes ​ ce7fdc   14 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
OptionTrait.cpp 4.3 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
OptionTrait.hpp 1.4 KB ​ d41313   14 years FrederikHeber Added output operators for both ActionTraits and OptionTrait.
Process.cpp 2.2 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
Process.hpp 2.3 KB ​ 02ce36   14 years FrederikHeber We now require CodePatterns 1.2.0. - this is due to the updated …
pyMoleCuilder.cpp 4.3 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
Reaction.hpp 2.0 KB ​ 1540859   14 years FrederikHeber Added Reaction as Action with a return value. - this is derived from …
Reaction_impl.hpp 1.6 KB ​ 1540859   14 years FrederikHeber Added Reaction as Action with a return value. - this is derived from …
Reaction_impl_header.hpp 7.4 KB ​ 1540859   14 years FrederikHeber Added Reaction as Action with a return value. - this is derived from …
Reaction_impl_pre.hpp 7.7 KB ​ 1540859   14 years FrederikHeber Added Reaction as Action with a return value. - this is derived from …
RedoAction.cpp 1.3 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
RedoAction.def 806 bytes ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
RedoAction.hpp 327 bytes ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
UndoAction.cpp 1.3 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
UndoAction.def 802 bytes ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
UndoAction.hpp 327 bytes ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
Values.cpp 1.1 KB ​ 2a0271   14 years FrederikHeber New function Box::isValid() to be discerned from ::isInside(). - …
Values.hpp 1001 bytes ​ 06aedc   15 years FrederikHeber libMolecuilderLinearAlgebra is now a self-contained library fit for …
ValueStorage.cpp 18.0 KB ​ 0aa122   14 years FrederikHeber Updated all source files's copyright note to current year 2012.
ValueStorage.hpp 9.0 KB ​ 88ba1f   14 years FrederikHeber Added Action's COMMAND_stringargs() function call. - also added …
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