source: src/Actions/SelectionAction/Atoms@ 0e2031

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
../
AllAtomsAction.cpp 2.0 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsAction.def 920 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsAction.hpp 270 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsInsideCuboidAction.cpp 2.8 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsInsideCuboidAction.def 1.3 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsInsideCuboidAction.hpp 329 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsInsideSphereAction.cpp 2.5 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsInsideSphereAction.def 1.1 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsInsideSphereAction.hpp 329 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsOfMoleculeAction.cpp 2.3 KB ​ c42e60   15 years FrederikHeber Two new descriptors: AtomOfMoleculeSelection, MoleculeOfAtomSelection. …
AllAtomsOfMoleculeAction.def 994 bytes ​ c42e60   15 years FrederikHeber Two new descriptors: AtomOfMoleculeSelection, MoleculeOfAtomSelection. …
AllAtomsOfMoleculeAction.hpp 320 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AtomByElementAction.cpp 2.2 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AtomByElementAction.def 1.0 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AtomByElementAction.hpp 295 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AtomByIdAction.cpp 1.9 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AtomByIdAction.def 964 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AtomByIdAction.hpp 270 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
ClearAllAtomsAction.cpp 2.0 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
ClearAllAtomsAction.def 941 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
ClearAllAtomsAction.hpp 295 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsAction.cpp 2.0 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsAction.def 933 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsAction.hpp 285 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsInsideCuboidAction.cpp 2.8 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsInsideCuboidAction.def 1.3 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsInsideCuboidAction.hpp 344 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsInsideSphereAction.cpp 2.6 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsInsideSphereAction.def 1.1 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsInsideSphereAction.hpp 344 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsOfMoleculeAction.cpp 2.3 KB ​ c42e60   15 years FrederikHeber Two new descriptors: AtomOfMoleculeSelection, MoleculeOfAtomSelection. …
NotAllAtomsOfMoleculeAction.def 991 bytes ​ c42e60   15 years FrederikHeber Two new descriptors: AtomOfMoleculeSelection, MoleculeOfAtomSelection. …
NotAllAtomsOfMoleculeAction.hpp 335 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAtomByElementAction.cpp 2.3 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAtomByElementAction.def 1.0 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAtomByElementAction.hpp 310 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAtomByIdAction.cpp 2.0 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAtomByIdAction.def 977 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAtomByIdAction.hpp 285 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
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