source: src/FunctionApproximation@ 440ac3

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChronosMutex Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
unittests 4ecb2d   8 years FrederikHeber Moved LinearAlgebra sub-package into ThirdParty folder. - needed to …
writeDistanceEnergyTable.hpp 2.1 KB ​ 04cc7e   12 years FrederikHeber Added pretty printer for distance-energy tables. - added …
TrainingData.hpp 4.7 KB ​ e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
TrainingData.cpp 7.6 KB ​ 228340   8 years FrederikHeber Extractors::gatherAllSymmetricDistances..() additionaly gets edge set …
Makefile.am 3.6 KB ​ 214240   12 years FrederikHeber FIX: Most of the includedirs were wrongly set. - each just needs to …
FunctionModel.hpp 6.3 KB ​ e60558   8 years FrederikHeber Extractors require additionally the binding graph of the fragment …
FunctionArgument.hpp 6.1 KB ​ 2ae400   8 years FrederikHeber Added bonded flag to argument_t.
FunctionArgument.cpp 1.5 KB ​ 2ae400   8 years FrederikHeber Added bonded flag to argument_t.
FunctionApproximation.hpp 7.5 KB ​ b40690   9 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
FunctionApproximation.cpp 13.9 KB ​ b40690   9 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
Extractors.hpp 5.9 KB ​ 1155ba   8 years FrederikHeber Converted filterArguments... into faster filter, renamed other to …
Extractors.cpp 34.5 KB ​ 1155ba   8 years FrederikHeber Converted filterArguments... into faster filter, renamed other to …
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