source: src/Actions/PotentialAction

stable v1.7.0
Name Size Rev Age Author Last Change
../
AddPotentialAction.cpp 4.2 KB ​ a4b917   6 weeks frederik.heber Adds add and remove potential actions. - DOC: Adds missing actions to …
AddPotentialAction.def 1.6 KB ​ a4b917   6 weeks frederik.heber Adds add and remove potential actions. - DOC: Adds missing actions to …
AddPotentialAction.hpp 360 bytes ​ a4b917   6 weeks frederik.heber Adds add and remove potential actions. - DOC: Adds missing actions to …
ClearHomologiesAction.cpp 2.2 KB ​ d91a8f   3 years frederik.heber Added ClearHomologiesAction. - this is necessary during sampling …
ClearHomologiesAction.def 961 bytes ​ d91a8f   3 years frederik.heber Added ClearHomologiesAction. - this is necessary during sampling …
ClearHomologiesAction.hpp 375 bytes ​ d91a8f   3 years frederik.heber Added ClearHomologiesAction. - this is necessary during sampling …
FitCompoundPotentialAction.cpp 4.3 KB ​ 82e5fb   4 years frederik.heber Added option error-file to fit potential actions. - DOCU: Added …
FitCompoundPotentialAction.def 2.5 KB ​ 5d18f3   6 weeks frederik.heber FIX: PotentialTrainer did not heed take-best correctly. - we used the …
FitCompoundPotentialAction.hpp 400 bytes ​ 98d166   11 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   10 years FrederikHeber FIX: Renamed FitParticleCharges -> FitPartialCharges. - fitting …
FitPotentialAction.cpp 5.6 KB ​ 82e5fb   4 years frederik.heber Added option error-file to fit potential actions. - DOCU: Added …
FitPotentialAction.def 2.8 KB ​ 82e5fb   4 years frederik.heber Added option error-file to fit potential actions. - DOCU: Added …
FitPotentialAction.hpp 360 bytes ​ f5724f   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
GeneratePotentialsAction.cpp 7.0 KB ​ 80bf6e   3 years frederik.heber FIX: GeneratePotentialsAction generates all combination. Merge with …
GeneratePotentialsAction.def 1.6 KB ​ 9b0dcd   4 years frederik.heber Added potential-list argument to GeneratePotentialsAction. - DOCU: …
GeneratePotentialsAction.hpp 390 bytes ​ 55c494   4 years frederik.heber Added GeneratePotentialsAction. - this generates all potential …
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 4.4 KB ​ 564f17   4 years frederik.heber Extended HomologyContainer::value_t by fragment energy. - renamed …
ParseHomologiesAction.def 1.2 KB ​ f5724f   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
ParseHomologiesAction.hpp 375 bytes ​ f5724f   12 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   11 years FrederikHeber Extracted ParsePotentialsAction from FitCompoundPotentialAction.
ParsePotentialsAction.hpp 375 bytes ​ f1eabd   11 years FrederikHeber Extracted ParsePotentialsAction from FitCompoundPotentialAction.
RemovePotentialAction.cpp 4.6 KB ​ a4b917   6 weeks frederik.heber Adds add and remove potential actions. - DOC: Adds missing actions to …
RemovePotentialAction.def 1.7 KB ​ a4b917   6 weeks frederik.heber Adds add and remove potential actions. - DOC: Adds missing actions to …
RemovePotentialAction.hpp 375 bytes ​ a4b917   6 weeks frederik.heber Adds add and remove potential actions. - DOC: Adds missing actions to …
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   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
SaveHomologiesAction.hpp 370 bytes ​ f5724f   12 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   11 years FrederikHeber Extracted SavePotentialsAction. - PotentialTrainer::StorePotentials …
SavePotentialsAction.hpp 370 bytes ​ 0ea063   11 years FrederikHeber Extracted SavePotentialsAction. - PotentialTrainer::StorePotentials …
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