source: src/Actions/SelectionAction/Atoms@ c26617

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
../
AllAtomsAction.cpp 2.6 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
AllAtomsAction.def 998 bytes ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
AllAtomsAction.hpp 340 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AllAtomsInsideVolumeAction.cpp 3.4 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
AllAtomsInsideVolumeAction.def 1016 bytes ​ eff536   12 years FrederikHeber AllAtomsInsideCuboid/SphereAction > AllAtomsInsideVolumeAction (using …
AllAtomsInsideVolumeAction.hpp 399 bytes ​ eff536   12 years FrederikHeber AllAtomsInsideCuboid/SphereAction > AllAtomsInsideVolumeAction (using …
AllAtomsOfMoleculeAction.cpp 2.9 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
AllAtomsOfMoleculeAction.def 1.0 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
AllAtomsOfMoleculeAction.hpp 390 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomByElementAction.cpp 2.9 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
AtomByElementAction.def 1.1 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
AtomByElementAction.hpp 365 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomByIdAction.cpp 3.8 KB ​ 054d47   10 years FrederikHeber FIX: (Not)AtomByIdAction would fail with assert if not atoms are …
AtomByIdAction.def 1.3 KB ​ f7c7cf   12 years FrederikHeber Selection(Not)AtomById now works on multiple ids. - this closed …
AtomByIdAction.hpp 340 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomByOrderAction.cpp 3.0 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
AtomByOrderAction.def 1.1 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
AtomByOrderAction.hpp 355 bytes ​ 61c364   13 years FrederikHeber Added AtomOrderDescription along with SelectionAtomByOrder. - added …
ClearAllAtomsAction.cpp 2.6 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
ClearAllAtomsAction.def 1019 bytes ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
ClearAllAtomsAction.hpp 365 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
InvertAtomsAction.cpp 2.7 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
InvertAtomsAction.def 978 bytes ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
InvertAtomsAction.hpp 355 bytes ​ ebc499   13 years FrederikHeber Added InvertMoleculesAction and InvertAtomsAction. - World has two …
NotAllAtomsAction.cpp 2.6 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
NotAllAtomsAction.def 1011 bytes ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
NotAllAtomsAction.hpp 355 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAllAtomsInsideVolumeAction.cpp 3.5 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
NotAllAtomsInsideVolumeAction.def 1.0 KB ​ eff536   12 years FrederikHeber AllAtomsInsideCuboid/SphereAction > AllAtomsInsideVolumeAction (using …
NotAllAtomsInsideVolumeAction.hpp 422 bytes ​ eff536   12 years FrederikHeber AllAtomsInsideCuboid/SphereAction > AllAtomsInsideVolumeAction (using …
NotAllAtomsOfMoleculeAction.cpp 3.0 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
NotAllAtomsOfMoleculeAction.def 1.0 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
NotAllAtomsOfMoleculeAction.hpp 405 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAtomByElementAction.cpp 2.9 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
NotAtomByElementAction.def 1.1 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
NotAtomByElementAction.hpp 380 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAtomByIdAction.cpp 3.9 KB ​ 054d47   10 years FrederikHeber FIX: (Not)AtomByIdAction would fail with assert if not atoms are …
NotAtomByIdAction.def 1.3 KB ​ d7cad1   10 years FrederikHeber Extended selection action for Molecule ids to multiple ids.
NotAtomByIdAction.hpp 355 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAtomByOrderAction.cpp 3.0 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
NotAtomByOrderAction.def 1.1 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
NotAtomByOrderAction.hpp 370 bytes ​ 61c364   13 years FrederikHeber Added AtomOrderDescription along with SelectionAtomByOrder. - added …
PopAtomsAction.cpp 2.7 KB ​ 3213f2   10 years FrederikHeber Added Push/PopAtom selection actions. - added push-atom to userguide. …
PopAtomsAction.def 1009 bytes ​ 3213f2   10 years FrederikHeber Added Push/PopAtom selection actions. - added push-atom to userguide. …
PopAtomsAction.hpp 340 bytes ​ 3213f2   10 years FrederikHeber Added Push/PopAtom selection actions. - added push-atom to userguide. …
PushAtomsAction.cpp 1.9 KB ​ 3213f2   10 years FrederikHeber Added Push/PopAtom selection actions. - added push-atom to userguide. …
PushAtomsAction.def 930 bytes ​ 3213f2   10 years FrederikHeber Added Push/PopAtom selection actions. - added push-atom to userguide. …
PushAtomsAction.hpp 345 bytes ​ 3213f2   10 years FrederikHeber Added Push/PopAtom selection actions. - added push-atom to userguide. …
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