source: src/Actions/PotentialAction@ 5e17bf

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChemicalSpaceEvaluator Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Name Size Rev Age Author Last Change
../
FitCompoundPotentialAction.cpp 4.3 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
FitCompoundPotentialAction.def 2.3 KB ​ b40690   9 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
FitCompoundPotentialAction.hpp 400 bytes ​ 98d166   10 years FrederikHeber Split FitPotentialAction into two actions. - FitPotentialAction fits …
FitPartialChargesAction.cpp 23.3 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
FitPartialChargesAction.def 1.6 KB ​ d8ed62   9 years FrederikHeber Rewrote FitPartialChargesAction to fit charges to currently selected …
FitPartialChargesAction.hpp 388 bytes ​ 50d49d   9 years FrederikHeber FIX: Renamed FitParticleCharges -> FitPartialCharges. - fitting …
FitPotentialAction.cpp 5.6 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
FitPotentialAction.def 2.6 KB ​ b40690   9 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
FitPotentialAction.hpp 360 bytes ​ f5724f   11 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
ParseAtomFragmentsAction.cpp 4.0 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
ParseAtomFragmentsAction.def 1.2 KB ​ 78202b   9 years FrederikHeber Adding potential action to parse and save atom fragment associations. …
ParseAtomFragmentsAction.hpp 390 bytes ​ 78202b   9 years FrederikHeber Adding potential action to parse and save atom fragment associations. …
ParseHomologiesAction.cpp 3.7 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
ParseHomologiesAction.def 1.2 KB ​ f5724f   11 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
ParseHomologiesAction.hpp 375 bytes ​ f5724f   11 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
ParseParticleParametersAction.cpp 3.0 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
ParseParticleParametersAction.def 1.4 KB ​ 2082637   9 years FrederikHeber Added Parse- and SaveParticleParametersAction to parse/save …
ParseParticleParametersAction.hpp 415 bytes ​ 2082637   9 years FrederikHeber Added Parse- and SaveParticleParametersAction to parse/save …
ParsePotentialsAction.cpp 3.9 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
ParsePotentialsAction.def 1.3 KB ​ f1eabd   10 years FrederikHeber Extracted ParsePotentialsAction from FitCompoundPotentialAction.
ParsePotentialsAction.hpp 375 bytes ​ f1eabd   10 years FrederikHeber Extracted ParsePotentialsAction from FitCompoundPotentialAction.
SaveAtomFragmentsAction.cpp 3.3 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
SaveAtomFragmentsAction.def 1.3 KB ​ 78202b   9 years FrederikHeber Adding potential action to parse and save atom fragment associations. …
SaveAtomFragmentsAction.hpp 385 bytes ​ 78202b   9 years FrederikHeber Adding potential action to parse and save atom fragment associations. …
SaveHomologiesAction.cpp 3.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
SaveHomologiesAction.def 1.2 KB ​ f5724f   11 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
SaveHomologiesAction.hpp 370 bytes ​ f5724f   11 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
SaveParticleParametersAction.cpp 3.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
SaveParticleParametersAction.def 1.3 KB ​ 2082637   9 years FrederikHeber Added Parse- and SaveParticleParametersAction to parse/save …
SaveParticleParametersAction.hpp 410 bytes ​ 2082637   9 years FrederikHeber Added Parse- and SaveParticleParametersAction to parse/save …
SavePotentialsAction.cpp 3.1 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
SavePotentialsAction.def 1.2 KB ​ 0ea063   10 years FrederikHeber Extracted SavePotentialsAction. - PotentialTrainer::StorePotentials …
SavePotentialsAction.hpp 370 bytes ​ 0ea063   10 years FrederikHeber Extracted SavePotentialsAction. - PotentialTrainer::StorePotentials …
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.