source: src/Actions@ 51c3e4

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
../
AnalysisAction 146cff2   15 years FrederikHeber FIX: include <cmath> missing in some files.
AtomAction 146cff2   15 years FrederikHeber FIX: include <cmath> missing in some files.
CmdAction 5f8660a   15 years FrederikHeber Changed PACKAGENAME and version. - rename ESPACKVersion in …
FragmentationAction bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
MoleculeAction 83f176   15 years FrederikHeber Made all member variables of class element private, added accessor …
ParserAction bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
SelectionAction bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
TesselationAction bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
WorldAction bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
Action.cpp 2.3 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
Action.hpp 20.6 KB ​ 047878   15 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
ActionHistory.cpp 3.7 KB ​ 8006ee   15 years FrederikHeber FIX: "Redo" message was in wrong function. - in …
ActionHistory.hpp 2.1 KB ​ 446bc1   15 years FrederikHeber Added Undo/Redo actions to MapOfActions. - ActionHistory:UndoAction …
ActionRegistry.cpp 1.2 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ActionRegistry.hpp 823 bytes ​ b2d8d0   15 years FrederikHeber Registry pattern split off of ActionRegistry, the latter converted to …
ActionSequence.cpp 3.7 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ActionSequence.hpp 796 bytes ​ 047878   15 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
AtomsCalculation.hpp 610 bytes ​ 047878   15 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
AtomsCalculation_impl.hpp 1.2 KB ​ 047878   15 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
Calculation.hpp 1.7 KB ​ 047878   15 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
Calculation_impl.hpp 1.5 KB ​ 047878   15 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
ErrorAction.cpp 1.3 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ErrorAction.hpp 654 bytes ​ 80951de   15 years FrederikHeber Fixed all remaining Action's and derived classes that lacked …
Makefile.am 9.8 KB ​ 51769f   15 years FrederikHeber Added (un)select-molecule-by-formula/..-atom-by-element actions..
MakroAction.cpp 2.2 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
MakroAction.hpp 851 bytes ​ 047878   15 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
ManipulateAtomsProcess.cpp 1.9 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ManipulateAtomsProcess.hpp 939 bytes ​ 047878   15 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
MapOfActions.cpp 53.1 KB ​ 83f176   15 years FrederikHeber Made all member variables of class element private, added accessor …
MapOfActions.hpp 9.8 KB ​ 03c902   15 years FrederikHeber Actions may now have optional parameters. - an additional parameter …
MethodAction.cpp 1.4 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
MethodAction.hpp 871 bytes ​ 047878   15 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
Process.cpp 2.2 KB ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
Process.hpp 2.2 KB ​ 2efa90   16 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 …
ValueStorage.cpp 775 bytes ​ bcf653   15 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ValueStorage.hpp 1.7 KB ​ 03c902   15 years FrederikHeber Actions may now have optional parameters. - an additional parameter …
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