#
# ChangeLog for src/FunctionApproximation/FunctionApproximation.cpp
#
# Generated by Trac 1.4.4
# Mar 18, 2025, 3:10:02 PM

Tue, 09 Feb 2016 07:11:35 GMT Frederik Heber <heber@…> [b40690]
	* doc/userguide/userguide.xml (modified)
	* src/Actions/PotentialAction/FitCompoundPotentialAction.cpp (modified)
	* src/Actions/PotentialAction/FitCompoundPotentialAction.def (modified)
	* src/Actions/PotentialAction/FitPotentialAction.cpp (modified)
	* src/Actions/PotentialAction/FitPotentialAction.def (modified)
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.hpp (modified)
	* src/Potentials/PotentialTrainer.cpp (modified)
	* src/Potentials/PotentialTrainer.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	Fit..PotentialAction now allow setting maximum number of optimization ...


Tue, 09 Feb 2016 07:10:23 GMT Frederik Heber <heber@…> [b8f2ea]
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.hpp (modified)
	* src/Potentials/PotentialTrainer.cpp (modified)
	* tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified)

	FIX: PotentialTrainer did not use user-specified threshold so far.
 ...


Fri, 27 Jun 2014 21:32:55 GMT Frederik Heber <heber@…> [e1fe7e]
	* src/Actions/PotentialAction/FitPotentialAction.cpp (modified)
	* src/FunctionApproximation/Extractors.cpp (modified)
	* src/FunctionApproximation/Extractors.hpp (modified)
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.hpp (modified)
	* src/FunctionApproximation/FunctionModel.hpp (modified)
	* src/FunctionApproximation/TrainingData.cpp (modified)
	* src/FunctionApproximation/TrainingData.hpp (modified)
	* src/FunctionApproximation/unittests/ExtractorsUnitTest.cpp (modified)
	* src/Potentials/CompoundPotential.cpp (modified)
	* src/Potentials/CompoundPotential.hpp (modified)
	* src/Potentials/EmpiricalPotential.hpp (modified)
	* src/Potentials/Specifics/ConstantPotential.cpp (modified)
	* src/Potentials/Specifics/ConstantPotential.hpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Torsion.hpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified)
	* src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified)
	* src/Potentials/Specifics/PairPotential_LennardJones.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.hpp (modified)
	* src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified)
	* src/Potentials/Specifics/ThreeBodyPotential_Angle.hpp (modified)
	* src/Potentials/Specifics/unittests/ConstantPotentialUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/ThreeBodyPotential_AngleUnitTest.cpp (modified)
	* src/Potentials/helpers.hpp (modified)
	* src/Potentials/unittests/CompoundPotentialUnitTest.cpp (modified)
	* src/UIElements/Views/Qt4/QtHomologyList.cpp (modified)

	FunctionModel now uses list_of_arguments to split sequence of subsets ...


Tue, 29 Apr 2014 12:42:43 GMT Frederik Heber <heber@…> [a2a2f7]
	* src/Actions/ActionSequence.cpp (modified)
	* src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp (modified)
	* src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp (modified)
	* src/Actions/ShapeAction/RemoveShapeAction.cpp (modified)
	* src/Actions/ShapeAction/StretchShapeAction.cpp (modified)
	* src/Analysis/analysis_correlation.cpp (modified)
	* src/Box.cpp (modified)
	* src/Filling/Mesh/CubeMesh.cpp (modified)
	* src/Fragmentation/AdaptivityMap.cpp (modified)
	* src/Fragmentation/BondsPerShortestPath.cpp (modified)
	* src/Fragmentation/Exporters/ExportGraph.cpp (modified)
	* src/Fragmentation/Fragmentation.cpp (modified)
	* src/Fragmentation/Homology/FragmentEdge.cpp (modified)
	* src/Fragmentation/Homology/FragmentNode.cpp (modified)
	* src/Fragmentation/Homology/HomologyContainer.hpp (modified)
	* src/Fragmentation/Homology/HomologyGraph.cpp (modified)
	* src/Fragmentation/Homology/unittests/stubs/FragmentStub.cpp (modified)
	* src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp (modified)
	* src/Fragmentation/Summation/Containers/MPQCData.hpp (modified)
	* src/Fragmentation/Summation/IndexSetContainer.cpp (modified)
	* src/Fragmentation/Summation/SetValues/Fragment.cpp (modified)
	* src/Fragmentation/Summation/SetValues/unittests/EigenvaluesUnitTest.cpp (modified)
	* src/Fragmentation/fragmentation_helpers.cpp (modified)
	* src/FunctionApproximation/Extractors.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/Jobs/MPQCJob.cpp (modified)
	* src/Jobs/WindowGrid_converter.cpp (modified)
	* src/Parameters/Validators/Specific/TimeStepPresentValidator.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified)
	* src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified)
	* src/Shapes/BaseShapes.cpp (modified)
	* src/Tesselation/boundary.cpp (modified)
	* src/Tesselation/tesselation.cpp (modified)
	* src/Tesselation/tesselationhelpers.cpp (modified)
	* src/UIElements/Qt4/Query/QtQueryList.hpp (modified)
	* src/UIElements/Qt4/Query/VectorQtQuery.cpp (modified)
	* src/UIElements/Views/Qt4/Plotting/QSeisPlotPage.cpp (modified)
	* src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified)
	* src/UIElements/Views/Qt4/QtTimeLine.cpp (modified)

	Huge warning fix.

	- fixed unused variables.
	- fixed set but unused ...


Sun, 24 Feb 2013 12:58:52 GMT Frederik Heber <heber@…> [69ab84]
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.hpp (modified)
	* src/LevMartester.cpp (modified)

	FunctionApproximation's cstor now accepts TrainingData instance
	directly.


Wed, 19 Dec 2012 15:26:11 GMT Frederik Heber <heber@…> [d03292]
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionModel.hpp (modified)
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.hpp (modified)

	Implemented box constraints for FunctionModel, using a feature of ...


Wed, 19 Dec 2012 15:25:32 GMT Frederik Heber <heber@…> [371c8b]
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.hpp (modified)

	Added FunctionApproximation::checkParameterDerivatives().

	- ...


Wed, 19 Dec 2012 15:25:31 GMT Frederik Heber <heber@…> [63b9f7]
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.hpp (modified)

	REFACTOR: Split off prepareModel() and prepareOutput() from ...


Wed, 19 Dec 2012 15:25:31 GMT Frederik Heber <heber@…> [76e63d]
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.hpp (modified)

	Extended FunctionApproximation::operator() to receive JacobianMode ...


Wed, 19 Dec 2012 15:25:31 GMT Frederik Heber <heber@…> [5b5724]
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.hpp (modified)
	* src/FunctionApproximation/FunctionArgument.hpp (modified)
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified)

	FunctionApproximation now uses levmar_der, i.e. additionally the ...


Wed, 19 Dec 2012 15:25:30 GMT Frederik Heber <heber@…> [c62f96]
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/LevMartester.cpp (modified)
	* src/Makefile.am (modified)

	LevMartester uses now FunctionApproximation.


Wed, 19 Dec 2012 15:25:30 GMT Frederik Heber <heber@…> [66cfc7]
	* src/FunctionApproximation/FunctionApproximation.cpp (added)
	* src/FunctionApproximation/FunctionApproximation.hpp (added)
	* src/FunctionApproximation/FunctionArgument.hpp (added)
	* src/FunctionApproximation/FunctionModel.hpp (added)
	* src/FunctionApproximation/Makefile.am (added)
	* src/Makefile.am (modified)

	Added new class FunctionApproximation that encapsulates the LevMar ...