source: src/Actions/SelectionAction/Atoms@ 5702cdb

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 2.1 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
AllAtomsAction.def 920 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsAction.hpp 340 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AllAtomsInsideCuboidAction.cpp 2.9 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
AllAtomsInsideCuboidAction.def 1.4 KB ​ 23d7ff   15 years FrederikHeber Added default rotation angles to (Not)AllAtomsInsideCuboidAction. - …
AllAtomsInsideCuboidAction.hpp 399 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AllAtomsInsideSphereAction.cpp 2.6 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
AllAtomsInsideSphereAction.def 1.1 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AllAtomsInsideSphereAction.hpp 399 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AllAtomsOfMoleculeAction.cpp 2.4 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
AllAtomsOfMoleculeAction.def 994 bytes ​ c42e60   15 years FrederikHeber Two new descriptors: AtomOfMoleculeSelection, MoleculeOfAtomSelection. …
AllAtomsOfMoleculeAction.hpp 390 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomByElementAction.cpp 2.3 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
AtomByElementAction.def 1.0 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AtomByElementAction.hpp 365 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
AtomByIdAction.cpp 2.1 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
AtomByIdAction.def 964 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
AtomByIdAction.hpp 340 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ClearAllAtomsAction.cpp 2.0 KB ​ ad011c   15 years FrederikHeber CodePatterns places all includes now in subfolder CodePatterns/. - …
ClearAllAtomsAction.def 941 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
ClearAllAtomsAction.hpp 365 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAllAtomsAction.cpp 2.1 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
NotAllAtomsAction.def 933 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsAction.hpp 355 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAllAtomsInsideCuboidAction.cpp 3.0 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
NotAllAtomsInsideCuboidAction.def 1.4 KB ​ 23d7ff   15 years FrederikHeber Added default rotation angles to (Not)AllAtomsInsideCuboidAction. - …
NotAllAtomsInsideCuboidAction.hpp 414 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAllAtomsInsideSphereAction.cpp 2.7 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
NotAllAtomsInsideSphereAction.def 1.1 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAllAtomsInsideSphereAction.hpp 414 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAllAtomsOfMoleculeAction.cpp 2.5 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
NotAllAtomsOfMoleculeAction.def 991 bytes ​ c42e60   15 years FrederikHeber Two new descriptors: AtomOfMoleculeSelection, MoleculeOfAtomSelection. …
NotAllAtomsOfMoleculeAction.hpp 405 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAtomByElementAction.cpp 2.4 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
NotAtomByElementAction.def 1.0 KB ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAtomByElementAction.hpp 380 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
NotAtomByIdAction.cpp 2.1 KB ​ aa4b2d   15 years FrederikHeber All (Un)SelectionActions now state how many atoms or molecules …
NotAtomByIdAction.def 977 bytes ​ 125002   15 years FrederikHeber Splitted SelectionAction modules into two groups - atoms, molecules - …
NotAtomByIdAction.hpp 355 bytes ​ 56f73b   15 years FrederikHeber Added config.h also to all header files, code check test ascertain …
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