source: src/Actions/AtomAction@ d93d2c

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
../
TranslateToOriginAction.hpp 379 bytes ​ c7fe90   10 years FrederikHeber Added TranslateToOriginAction. - also added regression test.
TranslateToOriginAction.def 1.0 KB ​ c7fe90   10 years FrederikHeber Added TranslateToOriginAction. - also added regression test.
TranslateToOriginAction.cpp 3.3 KB ​ c7fe90   10 years FrederikHeber Added TranslateToOriginAction. - also added regression test.
TranslateAction.hpp 339 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
TranslateAction.def 1.3 KB ​ 066442   10 years FrederikHeber Added TranslateMolecule action. - added translate-molecule to …
TranslateAction.cpp 3.2 KB ​ b5b01e   11 years FrederikHeber ActionState extracted into own header file, rename Action::state_ptr …
SaveSelectedAtomsAction.hpp 384 bytes ​ fe6f20   14 years FrederikHeber New Action SaveSelectedAtoms and renamed SaveAction -> …
SaveSelectedAtomsAction.def 1.2 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
SaveSelectedAtomsAction.cpp 3.2 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
SaturateAction.hpp 334 bytes ​ 2fcef3   10 years FrederikHeber Added SaturateAction that uses SphericalPointDistribution. - added …
SaturateAction.def 1.0 KB ​ 2fcef3   10 years FrederikHeber Added SaturateAction that uses SphericalPointDistribution. - added …
SaturateAction.cpp 4.1 KB ​ d79ca1   9 years FrederikHeber FIX: SaturateAction would use double instead of single hydrogen bond …
RotateAroundOriginByAngleAction.hpp 419 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
RotateAroundOriginByAngleAction.def 1.3 KB ​ 7a1e7d   12 years ankele VectorNotZeroValidator added (for actions using rotation axis)
RotateAroundOriginByAngleAction.cpp 3.9 KB ​ 99db9b   9 years FrederikHeber Replaced all World::getSelected...() to const version where possible. …
RemoveAction.hpp 341 bytes ​ cb2465   12 years FrederikHeber FIX: Changed Atom's AddAction and RemoveAction header inclusion …
RemoveAction.def 936 bytes ​ 1a48d2   10 years FrederikHeber Added ForceAnnealingAction. - also added regression test. - performs …
RemoveAction.cpp 3.1 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
MirrorAction.hpp 324 bytes ​ bbf6dc   10 years FrederikHeber Added AtomMirrorAction. - also added regression tests.
MirrorAction.def 1.5 KB ​ bbf6dc   10 years FrederikHeber Added AtomMirrorAction. - also added regression tests.
MirrorAction.cpp 3.9 KB ​ bbf6dc   10 years FrederikHeber Added AtomMirrorAction. - also added regression tests.
ChangeElementAction.hpp 362 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ChangeElementAction.def 1.2 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
ChangeElementAction.cpp 3.4 KB ​ f01769   9 years FrederikHeber Replaced World::getAtom() wherever possible by const version. - some …
AddAction.hpp 326 bytes ​ cb2465   12 years FrederikHeber FIX: Changed Atom's AddAction and RemoveAction header inclusion …
AddAction.def 1.4 KB ​ ceaab1   9 years FrederikHeber AddAtom now adds a molecule (atom always associated with a molecule). …
AddAction.cpp 5.4 KB ​ 8ad68b   9 years FrederikHeber AddAction and UndoRedoHelpers' AddAtomsFromAtomicInfo use recreate..().
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