source: src/Actions/MoleculeAction@ 8f4df1

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
../
BondFileAction.cpp 2.6 KB ​ 952f38   14 years FrederikHeber created LibMolecuilderHelpers. - is shared - renamed log.[ch]pp -> …
BondFileAction.hpp 823 bytes ​ 047878   14 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
ChangeNameAction.cpp 2.5 KB ​ 861874   14 years FrederikHeber libMolecuilderAction is now a shared lib via libtool. This is all …
ChangeNameAction.hpp 867 bytes ​ 047878   14 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
FillWithMoleculeAction.cpp 5.6 KB ​ 952f38   14 years FrederikHeber created LibMolecuilderHelpers. - is shared - renamed log.[ch]pp -> …
FillWithMoleculeAction.hpp 1.1 KB ​ 57f243   14 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
LinearInterpolationofTrajectoriesAction.cpp 4.4 KB ​ 952f38   14 years FrederikHeber created LibMolecuilderHelpers. - is shared - renamed log.[ch]pp -> …
LinearInterpolationofTrajectoriesAction.hpp 1.1 KB ​ 047878   14 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
RotateAroundOriginByAngleAction.cpp 4.8 KB ​ 4a06d6   14 years FrederikHeber FIX: friend function of RotateAroundOriginByAngleAction had wrong …
RotateAroundOriginByAngleAction.hpp 948 bytes ​ 4a06d6   14 years FrederikHeber FIX: friend function of RotateAroundOriginByAngleAction had wrong …
RotateAroundSelfByAngleAction.cpp 4.5 KB ​ 90bc51   14 years FrederikHeber FIX: RotateAroundSelfByAngleAction also gets position, using a …
RotateAroundSelfByAngleAction.hpp 938 bytes ​ 90bc51   14 years FrederikHeber FIX: RotateAroundSelfByAngleAction also gets position, using a …
RotateToPrincipalAxisSystemAction.cpp 6.2 KB ​ 6e5084   14 years FrederikHeber Fixed PrincipalAxisSystemAction. - …
RotateToPrincipalAxisSystemAction.hpp 990 bytes ​ 6e5084   14 years FrederikHeber Fixed PrincipalAxisSystemAction. - …
SaveAdjacencyAction.cpp 2.9 KB ​ 952f38   14 years FrederikHeber created LibMolecuilderHelpers. - is shared - renamed log.[ch]pp -> …
SaveAdjacencyAction.hpp 878 bytes ​ 047878   14 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
SaveBondsAction.cpp 2.8 KB ​ 952f38   14 years FrederikHeber created LibMolecuilderHelpers. - is shared - renamed log.[ch]pp -> …
SaveBondsAction.hpp 834 bytes ​ 047878   14 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
SaveTemperatureAction.cpp 3.0 KB ​ 952f38   14 years FrederikHeber created LibMolecuilderHelpers. - is shared - renamed log.[ch]pp -> …
SaveTemperatureAction.hpp 900 bytes ​ 047878   14 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
SuspendInWaterAction.cpp 3.0 KB ​ 952f38   14 years FrederikHeber created LibMolecuilderHelpers. - is shared - renamed log.[ch]pp -> …
SuspendInWaterAction.hpp 863 bytes ​ 047878   14 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
TranslateAction.cpp 2.9 KB ​ 952f38   14 years FrederikHeber created LibMolecuilderHelpers. - is shared - renamed log.[ch]pp -> …
TranslateAction.hpp 874 bytes ​ 57f243   14 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
VerletIntegrationAction.cpp 3.2 KB ​ 952f38   14 years FrederikHeber created LibMolecuilderHelpers. - is shared - renamed log.[ch]pp -> …
VerletIntegrationAction.hpp 908 bytes ​ 047878   14 years Till Crueger made all actions pass on the dialogs and add the corresponding queries
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