source: src/Actions@ 81c980b

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 caa06ef   14 years FrederikHeber Added name to PointCloudAdaptor, set by constructor. - name is used …
AtomAction 632a52   13 years FrederikHeber FIX: boost::filesystem 1.47 changed output of extension(), stem(), and …
CommandAction 416f10   13 years FrederikHeber FIX: help string on domain is wrong. - CommandHelpAction() gives …
FragmentationAction d09093   14 years FrederikHeber Moved all graph-related Actions into own folder Actions/GraphAction/. …
GraphAction d09093   14 years FrederikHeber Moved all graph-related Actions into own folder Actions/GraphAction/. …
MoleculeAction f6ba43   13 years FrederikHeber Many smaller changes to CreateMicelleAction to get it fully working …
ParserAction 81c980b   13 years FrederikHeber Added new action to set the ATOMDATA in tremolo's .data output file. …
RandomNumbersAction c14c78   14 years FrederikHeber Some bugfixes for RandomNumber... stuff. - BUGFIX: Asserts contained …
SelectionAction 718542   13 years FrederikHeber Filled action's token as keyword in each test. - also all keywords …
TesselationAction caa06ef   14 years FrederikHeber Added name to PointCloudAdaptor, set by constructor. - name is used …
unittests fdcd1b   14 years FrederikHeber Moved DummyUI.hpp from unittests to Actions/unittests/stubs. - note …
WorldAction 632a52   13 years FrederikHeber FIX: boost::filesystem 1.47 changed output of extension(), stem(), and …
Action.cpp 5.7 KB ​ e69c87   13 years FrederikHeber Splitted off Undo and Redo parts into own tests (3-step rule). - this …
Action.hpp 24.9 KB ​ e4b2f6   14 years FrederikHeber Added Action::help(). - Action::help() returns a string that enlists …
Action_impl_header.hpp 7.2 KB ​ d1115d   14 years FrederikHeber FIX: paramdefaults values have to be in "", now enforced by …
Action_impl_pre.hpp 7.7 KB ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ActionExceptions.hpp 864 bytes ​ e5c233   13 years FrederikHeber FIX: replaced boost/exception.hpp by boost/exception/all.hpp.
ActionHistory.cpp 2.0 KB ​ e69c87   13 years FrederikHeber Splitted off Undo and Redo parts into own tests (3-step rule). - this …
ActionHistory.hpp 1.3 KB ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ActionRegistry.cpp 1.8 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
ActionRegistry.hpp 965 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ActionSequence.cpp 3.7 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
ActionSequence.hpp 866 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ActionTraits.cpp 4.7 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
ActionTraits.hpp 2.1 KB ​ b59da6   14 years FrederikHeber Refactoring of Menu structure for Qt and Text UI done. - Menu is now …
AtomsCalculation.hpp 690 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomsCalculation_impl.hpp 1.3 KB ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
Calculation.hpp 1.8 KB ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
Calculation_impl.hpp 1.7 KB ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ErrorAction.cpp 1.4 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
ErrorAction.hpp 781 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
Makefile.am 19.4 KB ​ 81c980b   13 years FrederikHeber Added new action to set the ATOMDATA in tremolo's .data output file. …
MakroAction.cpp 2.2 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
MakroAction.hpp 978 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ManipulateAtomsProcess.cpp 1.9 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
ManipulateAtomsProcess.hpp 1.0 KB ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
MethodAction.cpp 1.5 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
MethodAction.hpp 1005 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
OptionRegistry.cpp 3.8 KB ​ b2ae3b   14 years FrederikHeber Removed smaller warning, mostly due to NDEBUG. - ASSERTs are not …
OptionRegistry.hpp 926 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
OptionTrait.cpp 4.2 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
OptionTrait.hpp 1.3 KB ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
Process.cpp 2.2 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
Process.hpp 2.2 KB ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
RedoAction.cpp 1.2 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
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 1.2 KB ​ ad011c   14 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
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 17.6 KB ​ 336e33   14 years FrederikHeber Removed MissingValueException from Exceptions. - is now …
ValueStorage.hpp 8.1 KB ​ e5c233   13 years FrederikHeber FIX: replaced boost/exception.hpp by boost/exception/all.hpp.
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