source: src/Actions@ 50e4e5

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 c3a70d   13 years FrederikHeber Added time-step-zero option to dipole-angular-correlation. - this …
AtomAction 3bdb6d   13 years FrederikHeber Moved all stuff related to elements into own subfolder and has its own …
CommandAction b1ac7a   13 years FrederikHeber Added Undo/Redo capabilities to BondLengthTableAction. - thanks to …
FragmentationAction 07a47e   13 years FrederikHeber Replaced enable/disable-hydrogen by internal switch. - changes in …
GraphAction 07a47e   13 years FrederikHeber Replaced enable/disable-hydrogen by internal switch. - changes in …
MoleculeAction 42127c   13 years FrederikHeber Extracted definition of MoleculeListClass and put into own header module.
ParserAction 41d023   13 years FrederikHeber Renamed SetMpqcParametersAction to SetParserParametersAction and …
RandomNumbersAction ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
SelectionAction 3bdb6d   13 years FrederikHeber Moved all stuff related to elements into own subfolder and has its own …
TesselationAction d127c8   13 years FrederikHeber Moved modules related to Tesselation into own source subfolder. - …
unittests ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
WorldAction 091838   13 years FrederikHeber FormatParserStorage now explicitly needs to know which formats to …
Action.cpp 5.7 KB ​ 862b6a   13 years FrederikHeber All Actions are timed now, timings are given on exit. - Chronos is …
Action.hpp 7.9 KB ​ 862b6a   13 years FrederikHeber All Actions are timed now, timings are given on exit. - Chronos is …
Action_impl_header.hpp 7.3 KB ​ 862b6a   13 years FrederikHeber All Actions are timed now, timings are given on exit. - Chronos is …
Action_impl_pre.hpp 8.1 KB ​ 862b6a   13 years FrederikHeber All Actions are timed now, timings are given on exit. - Chronos is …
ActionExceptions.hpp 864 bytes ​ e5c233   13 years FrederikHeber FIX: replaced boost/exception.hpp by boost/exception/all.hpp.
ActionHistory.cpp 2.0 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionHistory.hpp 1.3 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionRegistry.cpp 1.8 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionRegistry.hpp 993 bytes ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
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. …
ActionTraits.cpp 4.7 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ActionTraits.hpp 2.2 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
AtomsCalculation.hpp 718 bytes ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
AtomsCalculation_impl.hpp 1.3 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
Calculation.hpp 1.8 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
Calculation_impl.hpp 1.7 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ErrorAction.cpp 1.4 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ErrorAction.hpp 809 bytes ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
Makefile.am 19.5 KB ​ 41d023   13 years FrederikHeber Renamed SetMpqcParametersAction to SetParserParametersAction and …
MakroAction.cpp 2.2 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
MakroAction.hpp 1007 bytes ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ManipulateAtomsProcess.cpp 1.9 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
ManipulateAtomsProcess.hpp 1.1 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
MethodAction.cpp 1.5 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
MethodAction.hpp 1.0 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
OptionRegistry.cpp 3.9 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
OptionRegistry.hpp 954 bytes ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
OptionTrait.cpp 4.2 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
OptionTrait.hpp 1.3 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
Process.cpp 2.2 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
Process.hpp 2.3 KB ​ ce7fdc   13 years FrederikHeber HUGE: All Action-related codes resides now in namespace MoleCuilder. …
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 ​ e5ece4   13 years FrederikHeber Added operator<< to ValueStorage. - this should ease debugging in …
ValueStorage.hpp 8.3 KB ​ e6c470   13 years FrederikHeber Fixing documentation. - removed out-dated documentation. - removed …
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