source: src/Actions/SelectionAction/Atoms@ b2c302

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 2.0 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
AllAtomsAction.def 920 bytes ​ 125002   14 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsAction.hpp 340 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AllAtomsInsideCuboidAction.cpp 2.8 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
AllAtomsInsideCuboidAction.def 1.4 KB ​ 23d7ff   14 years FrederikHeber Added default rotation angles to (Not)AllAtomsInsideCuboidAction. - …
AllAtomsInsideCuboidAction.hpp 399 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AllAtomsInsideSphereAction.cpp 2.5 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
AllAtomsInsideSphereAction.def 1.1 KB ​ 125002   14 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsInsideSphereAction.hpp 399 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AllAtomsOfMoleculeAction.cpp 2.3 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
AllAtomsOfMoleculeAction.def 994 bytes ​ c42e60   14 years FrederikHeber Two new descriptors: AtomOfMoleculeSelection, MoleculeOfAtomSelection. …
AllAtomsOfMoleculeAction.hpp 390 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomByElementAction.cpp 2.2 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
AtomByElementAction.def 1.0 KB ​ 125002   14 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AtomByElementAction.hpp 365 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomByIdAction.cpp 2.2 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
AtomByIdAction.def 963 bytes ​ 5a8840   13 years FrederikHeber Selection AtomByIdAction now gets atomId_t not const atom *. - This …
AtomByIdAction.hpp 340 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomByOrderAction.cpp 2.3 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
AtomByOrderAction.def 1006 bytes ​ 61c364   13 years FrederikHeber Added AtomOrderDescription along with SelectionAtomByOrder. - added …
AtomByOrderAction.hpp 355 bytes ​ 61c364   13 years FrederikHeber Added AtomOrderDescription along with SelectionAtomByOrder. - added …
ClearAllAtomsAction.cpp 2.0 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
ClearAllAtomsAction.def 941 bytes ​ 125002   14 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
ClearAllAtomsAction.hpp 365 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
InvertAtomsAction.cpp 2.1 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
InvertAtomsAction.def 900 bytes ​ ebc499   13 years FrederikHeber Added InvertMoleculesAction and InvertAtomsAction. - World has two …
InvertAtomsAction.hpp 355 bytes ​ ebc499   13 years FrederikHeber Added InvertMoleculesAction and InvertAtomsAction. - World has two …
NotAllAtomsAction.cpp 2.0 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
NotAllAtomsAction.def 933 bytes ​ 125002   14 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsAction.hpp 355 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAllAtomsInsideCuboidAction.cpp 2.8 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
NotAllAtomsInsideCuboidAction.def 1.4 KB ​ 23d7ff   14 years FrederikHeber Added default rotation angles to (Not)AllAtomsInsideCuboidAction. - …
NotAllAtomsInsideCuboidAction.hpp 414 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAllAtomsInsideSphereAction.cpp 2.6 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
NotAllAtomsInsideSphereAction.def 1.1 KB ​ 125002   14 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsInsideSphereAction.hpp 414 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAllAtomsOfMoleculeAction.cpp 2.3 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
NotAllAtomsOfMoleculeAction.def 991 bytes ​ c42e60   14 years FrederikHeber Two new descriptors: AtomOfMoleculeSelection, MoleculeOfAtomSelection. …
NotAllAtomsOfMoleculeAction.hpp 405 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAtomByElementAction.cpp 2.3 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
NotAtomByElementAction.def 1.0 KB ​ 125002   14 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAtomByElementAction.hpp 380 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAtomByIdAction.cpp 2.2 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
NotAtomByIdAction.def 976 bytes ​ b7ff03   13 years FrederikHeber Selection NotAtomByIdAction now gets atomId_t not const atom *. - see …
NotAtomByIdAction.hpp 355 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAtomByOrderAction.cpp 2.3 KB ​ be21fa   13 years FrederikHeber Moved getParametersfromValueStorage() call from each single Action …
NotAtomByOrderAction.def 1019 bytes ​ 61c364   13 years FrederikHeber Added AtomOrderDescription along with SelectionAtomByOrder. - added …
NotAtomByOrderAction.hpp 370 bytes ​ 61c364   13 years FrederikHeber Added AtomOrderDescription along with SelectionAtomByOrder. - added …
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