source: src/Actions@ 5702cdb

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 6bb605   15 years FrederikHeber Worldtime now has static CurrentTime and static (inline) …
unittests 1ee3b8d   15 years FrederikHeber Made RandomNumbers sources into its own library …
TesselationAction caa06ef   15 years FrederikHeber Added name to PointCloudAdaptor, set by constructor. - name is used …
SelectionAction 23d7ff   15 years FrederikHeber Added default rotation angles to (Not)AllAtomsInsideCuboidAction. - …
RandomNumbersAction c14c78   15 years FrederikHeber Some bugfixes for RandomNumber... stuff. - BUGFIX: Asserts contained …
ParserAction 4d4d33   15 years FrederikHeber Added tremolo's potential file parsing, reported by Daniel Dueck. …
MoleculeAction 9b8387   15 years FrederikHeber DOCUFIX: enhanced description of RotateAroundSelfByAngleAction's …
FragmentationAction caa06ef   15 years FrederikHeber Added name to PointCloudAdaptor, set by constructor. - name is used …
CommandAction 4e855e   15 years FrederikHeber BondGraph::LoadBondLengthTable() now accepts istream instead of const …
AtomAction 967b3c   15 years FrederikHeber Changed regression testsuite structure of Molecules. - all numbered …
AnalysisAction caa06ef   15 years FrederikHeber Added name to PointCloudAdaptor, set by constructor. - name is used …
ValueStorage.hpp 6.1 KB ​ 0275ad   15 years FrederikHeber Final step in Random numbers is done ... - requires CodePatterns …
ValueStorage.cpp 13.5 KB ​ 0275ad   15 years FrederikHeber Final step in Random numbers is done ... - requires CodePatterns …
Values.hpp 995 bytes ​ 528b3e   15 years FrederikHeber Added conversion functions to VectorValue and BoxValue and changed …
Values.cpp 1.1 KB ​ 528b3e   15 years FrederikHeber Added conversion functions to VectorValue and BoxValue and changed …
UndoAction.hpp 327 bytes ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
UndoAction.def 802 bytes ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
UndoAction.cpp 1.2 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
RedoAction.hpp 327 bytes ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
RedoAction.def 806 bytes ​ e4afb4   15 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
RedoAction.cpp 1.2 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
Process.hpp 2.2 KB ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
Process.cpp 2.2 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
OptionTrait.hpp 1.3 KB ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
OptionTrait.cpp 4.2 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
OptionRegistry.hpp 926 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
OptionRegistry.cpp 3.8 KB ​ b2ae3b   15 years FrederikHeber Removed smaller warning, mostly due to NDEBUG. - ASSERTs are not …
MethodAction.hpp 1005 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
MethodAction.cpp 1.5 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
ManipulateAtomsProcess.hpp 1.0 KB ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ManipulateAtomsProcess.cpp 1.9 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
MakroAction.hpp 978 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
MakroAction.cpp 2.2 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
Makefile.am 11.6 KB ​ aa04ae   15 years FrederikHeber Implemented SetWorldTimeAction and regression test on that. - …
ErrorAction.hpp 781 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ErrorAction.cpp 1.4 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
Calculation_impl.hpp 1.7 KB ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
Calculation.hpp 1.8 KB ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomsCalculation_impl.hpp 1.3 KB ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomsCalculation.hpp 690 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ActionTraits.hpp 2.1 KB ​ b59da6   15 years FrederikHeber Refactoring of Menu structure for Qt and Text UI done. - Menu is now …
ActionTraits.cpp 4.7 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
ActionSequence.hpp 866 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ActionSequence.cpp 3.7 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
ActionRegistry.hpp 965 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ActionRegistry.cpp 1.8 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
ActionHistory.hpp 1.3 KB ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ActionHistory.cpp 1.7 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
Action_impl_pre.hpp 7.7 KB ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
Action_impl_header.hpp 7.2 KB ​ d1115d   15 years FrederikHeber FIX: paramdefaults values have to be in "", now enforced by …
Action.hpp 24.8 KB ​ d1115d   15 years FrederikHeber FIX: paramdefaults values have to be in "", now enforced by …
Action.cpp 4.4 KB ​ 23d7ff   15 years FrederikHeber Added default rotation angles to (Not)AllAtomsInsideCuboidAction. - …
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