source: src/Actions/PotentialAction@ 3c9ac3

Action_Thermostats Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
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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 ​ da7ef9   8 years frederik.heber FIX: STATUS msg only pushed to GUI, now also always in log.
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 …
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