source: src/Actions@ 3b7dfb

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
../
AnalysisAction b31cfa   15 years FrederikHeber All AnalysisActions contain now a ActionCall.hpp function. - to have …
AtomAction 1a8fbf6   15 years FrederikHeber All AtomActions contain now a ActionCall.hpp function. - to have the …
CmdAction ecbc9a   15 years FrederikHeber All CmdActions contain now a ActionCall.hpp function. - to have the …
FragmentationAction 4ff081   15 years FrederikHeber All FragmentationActions contain now a ActionCall.hpp function.
MoleculeAction 1a3c26   15 years FrederikHeber All MoleculeActions contain now a ActionCall.hpp function.
ParserAction 215b89   15 years FrederikHeber All ParserActions contain now a ActionCall.hpp function.
SelectionAction 3b7dfb   15 years FrederikHeber All SelectionActions contain now a ActionCall.hpp function.
TesselationAction 1d9b7d2   15 years FrederikHeber TESTFIX: Tesselation/* all needed replacement of option …
WorldAction 3037be   15 years FrederikHeber WorldChangeBoxAction::performCall() - don't need cell_size from the …
Action.cpp 1.8 KB ​ e2f3114   15 years FrederikHeber MissingValueException is not caught in Action::call() anymore.
Action.hpp 19.1 KB ​ 6bf52f   15 years FrederikHeber BUGFIX: default flag of call was NonInteractive instead of Interactive.
ActionCalls.hpp 3.2 KB ​ aa3d7a   15 years FrederikHeber ActionCalls.hpp header added that contains concise function calls of …
ActionHistory.cpp 3.1 KB ​ 655c98   15 years FrederikHeber Some derived Actions lacked return NULL in createDialog(). - Actions …
ActionHistory.hpp 2.0 KB ​ 80951de   15 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
ActionRegistry.cpp 3.4 KB ​ d0fbec   15 years FrederikHeber Added const_iterator get[Begin\End]Iter() and ostream& operator << to …
ActionRegistry.hpp 1021 bytes ​ 986ed3   15 years Till Crueger COMPILE_SPEEDUP: Replaced all implicit inclusions of iostream with forwards
ActionSequence.cpp 4.1 KB ​ 4e145c   15 years FrederikHeber Actions can now be called non-interactively, MissingValueException …
ActionSequence.hpp 852 bytes ​ 80951de   15 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
AtomsCalculation.hpp 549 bytes ​ b54ac8   15 years Till Crueger Added templates that allow arbitrary calculations on atoms to be …
AtomsCalculation_impl.hpp 1.1 KB ​ fa0b18   15 years Till Crueger Added Observed and Selectiv iterators over internal Structures of the …
Calculation.hpp 1.7 KB ​ 80951de   15 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
Calculation_impl.hpp 1.6 KB ​ 80951de   15 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
ErrorAction.cpp 982 bytes ​ 655c98   15 years FrederikHeber Some derived Actions lacked return NULL in createDialog(). - Actions …
ErrorAction.hpp 654 bytes ​ 80951de   15 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
Makefile.am 5.6 KB ​ aa3d7a   15 years FrederikHeber ActionCalls.hpp header added that contains concise function calls of …
MakroAction.cpp 1.8 KB ​ 80951de   15 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
MakroAction.hpp 829 bytes ​ 80951de   15 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
ManipulateAtomsProcess.cpp 1.5 KB ​ 655c98   15 years FrederikHeber Some derived Actions lacked return NULL in createDialog(). - Actions …
ManipulateAtomsProcess.hpp 922 bytes ​ 80951de   15 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
MapOfActions.cpp 45.6 KB ​ 4e4c4d   15 years FrederikHeber Shifted select-.. actions from arguments to actions in …
MapOfActions.hpp 9.7 KB ​ 85f35e   15 years FrederikHeber BUGFIX: setCurrentValue was not correctly templated.
MethodAction.cpp 1.0 KB ​ 655c98   15 years FrederikHeber Some derived Actions lacked return NULL in createDialog(). - Actions …
MethodAction.hpp 848 bytes ​ 80951de   15 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
Process.cpp 1.9 KB ​ da3024   15 years FrederikHeber Fixed various compiler warnings. - Process::Process() - Action and …
Process.hpp 2.2 KB ​ 2efa90   15 years Till Crueger Added detailed documentation for the Action class
Values.hpp 303 bytes ​ 8467df   15 years FrederikHeber BUGFIX: BoxValue were upper not lower tridiagonal. Due to pcp's …
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