#
# ChangeLog for src/LevMartester.cpp
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# Generated by Trac 1.4.4
# Mar 22, 2025, 5:50:40 AM

Sun, 24 Feb 2013 12:57:42 GMT Frederik Heber <heber@…> [1f06896]
	* src/LevMartester.cpp (modified)

	DEBUG: Added msg about L2 contribution.


Sun, 24 Feb 2013 12:57:42 GMT Frederik Heber <heber@…> [19fa3b]
	* src/LevMartester.cpp (modified)

	FIX: Removing average energy from order1-fit to Saturation potential.


Sun, 24 Feb 2013 12:57:42 GMT Frederik Heber <heber@…> [40fff1]
	* src/LevMartester.cpp (modified)

	Performing fit got CH4 now with SaturatonPotential instead of
	Tersoff.


Sat, 23 Feb 2013 16:24:27 GMT Frederik Heber <heber@…> [69b30a]
	* src/LevMartester.cpp (modified)

	FIX: boost::iarchive includes needs to go before MemDebug in ...


Wed, 19 Dec 2012 15:26:11 GMT Frederik Heber <heber@…> [a30b7f]
	* src/LevMartester.cpp (modified)

	Added check on L2 sum and Lmax norms of fitted Tersoff with respect ...


Wed, 19 Dec 2012 15:26:11 GMT Frederik Heber <heber@…> [17b3598]
	* src/LevMartester.cpp (modified)

	Starting parameters for Tersoff minimization in LevMartester are now ...


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 15:26:11 GMT Frederik Heber <heber@…> [f48ad3]
	* src/LevMartester.cpp (modified)
	* src/Makefile.am (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.hpp (modified)

	LevMartester now uses FunctionModel::setParameter() to set initial ...


Wed, 19 Dec 2012 15:26:11 GMT Frederik Heber <heber@…> [eb1efe]
	* src/FunctionApproximation/FunctionArgument.hpp (modified)
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.hpp (modified)

	Extended LevMartester to fit a Tersoff potential to the first order ...


Wed, 19 Dec 2012 15:25:43 GMT Frederik Heber <heber@…> [155cc2]
	* src/LevMartester.cpp (modified)
	* src/Potentials/Makefile.am (modified)
	* src/Potentials/Specifics/PairPotential_Morse.cpp (added)
	* src/Potentials/Specifics/PairPotential_Morse.hpp (added)

	Added PairPotential_Morse with derivatives, used by LevMartester.

	- ...


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 15:25:31 GMT Frederik Heber <heber@…> [dac89b1]
	* src/LevMartester.cpp (modified)

	Using FunctionModel and setTrainingData in LevMartester.


Wed, 19 Dec 2012 15:25:31 GMT Frederik Heber <heber@…> [65c42c]
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified)

	PairPotential_Harmonic now has additional offset parameter.

	- do we ...


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 15:25:03 GMT Frederik Heber <heber@…> [f06d52]
	* configure.ac (modified)
	* m4/ax_blas.m4 (added)
	* m4/ax_lapack.m4 (added)
	* src/LevMartester.cpp (added)
	* src/Makefile.am (modified)

	Added LevMartester that employs levmar package for non-linear ...