#
# ChangeLog for src/Potentials/Specifics/unittests
#
# Generated by Trac 1.4.4
# Mar 22, 2025, 1:35:31 PM

Mon, 08 Jul 2013 14:22:01 GMT Frederik Heber <heber@…> [8203ce8]
	* src/FunctionApproximation/Extractors.cpp (modified)
	* src/Potentials/Makefile.am (modified)
	* src/Potentials/PotentialFactory.cpp (modified)
	* src/Potentials/Specifics/ConstantPotential.cpp (added)
	* src/Potentials/Specifics/ConstantPotential.hpp (added)
	* src/Potentials/Specifics/PotentialTypes.def (modified)
	* src/Potentials/Specifics/unittests/ConstantPotentialUnitTest.cpp (added)
	* src/Potentials/Specifics/unittests/ConstantPotentialUnitTest.hpp (added)
	* src/Potentials/Specifics/unittests/Makefile.am (modified)

	Added ConstantPotential to fit a non-zero offset in potential energy. ...


Wed, 27 Feb 2013 12:43:09 GMT Frederik Heber <heber@…> [dbcc47]
	* src/Potentials/Specifics/PairPotential_Angle.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_AngleUnitTest.cpp (modified)

	Arguments for PairPotential_Angle were used in wrong order.


Wed, 27 Feb 2013 12:39:03 GMT Frederik Heber <heber@…> [775dd1a]
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.hpp (modified)
	* src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp (modified)
	* src/Potentials/helpers.hpp (modified)

	Triplefunction for Saturation and Tersoff potential have to be given ...


Wed, 27 Feb 2013 12:39:03 GMT Frederik Heber <heber@…> [d52819]
	* src/FunctionApproximation/FunctionModel.hpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Angle.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Angle.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.hpp (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.hpp (modified)
	* src/Potentials/Specifics/unittests/Makefile.am (modified)

	Extracted initial parameter setting per specific potential to ...


Wed, 27 Feb 2013 12:39:03 GMT Frederik Heber <heber@…> [7b019a]
	* src/FunctionApproximation/FunctionModel.hpp (modified)
	* src/FunctionApproximation/TrainingData.hpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Angle.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Angle.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.hpp (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.hpp (modified)
	* src/Potentials/Specifics/unittests/Makefile.am (modified)

	Extended FunctionModel by getFragmentSpecificExtractor() definition.
 ...


Wed, 27 Feb 2013 11:44:01 GMT Frederik Heber <heber@…> [55fe788]
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Angle.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.cpp (modified)
	* src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_AngleUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp (modified)

	All specific Potentials now assert that arguments have charges ...


Mon, 25 Feb 2013 17:29:09 GMT Frederik Heber <heber@…> [ed2551]
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Angle.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Angle.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.hpp (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.hpp (modified)
	* src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_AngleUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp (modified)

	All Pair_.. and ManyBodyPotentials are now also derived from ...


Mon, 25 Feb 2013 17:28:58 GMT Frederik Heber <heber@…> [691be4]
	* src/FunctionApproximation/Extractors.cpp (modified)
	* src/FunctionApproximation/Extractors.hpp (modified)
	* src/FunctionApproximation/FunctionArgument.cpp (modified)
	* src/FunctionApproximation/FunctionArgument.hpp (modified)
	* src/FunctionApproximation/unittests/ExtractorsUnitTest.cpp (modified)
	* src/FunctionApproximation/unittests/ExtractorsUnitTest.hpp (modified)
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/unittests/PairPotential_AngleUnitTest.cpp (modified)

	FunctionArgument now contains charges, too, and rewrote Extractors ...


Sun, 24 Feb 2013 12:57:26 GMT Frederik Heber <heber@…> [c92c0d]
	* src/Potentials/Specifics/PairPotential_Angle.cpp (modified)
	* src/Potentials/Specifics/unittests/Makefile.am (modified)
	* src/Potentials/Specifics/unittests/PairPotential_AngleUnitTest.cpp (added)
	* src/Potentials/Specifics/unittests/PairPotential_AngleUnitTest.hpp (added)

	Added unit test for PairPotential_Angle.

	- also corrected ...


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 15:25:54 GMT Frederik Heber <heber@…> [752dc7]
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified)
	* src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp (modified)

	FIX: Made R and S also fixed parameters, this is in accordance with ...


Wed, 19 Dec 2012 15:25:54 GMT Frederik Heber <heber@…> [990a62]
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified)
	* src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp (modified)

	FIX: Tersoff parameters lambda3, alpha, chi, and omega are now fixed. ...


Wed, 19 Dec 2012 15:25:53 GMT Frederik Heber <heber@…> [ffc368]
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified)
	* src/Potentials/Specifics/unittests/Makefile.am (modified)
	* src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.cpp (added)
	* src/Potentials/Specifics/unittests/ManyBodyPotential_TersoffUnitTest.hpp (added)

	ManyBodyPotential_Tersoff is now correctly implemented.

	- changed ...


Wed, 19 Dec 2012 15:25:43 GMT Frederik Heber <heber@…> [76cbd0]
	* src/Potentials/Specifics/PairPotential_Morse.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.hpp (modified)
	* src/Potentials/Specifics/unittests/Makefile.am (modified)
	* src/Potentials/Specifics/unittests/PairPotential_MorseUnitTest.cpp (added)
	* src/Potentials/Specifics/unittests/PairPotential_MorseUnitTest.hpp (added)

	Added PairPotential_MorseUnitTest.

	- so far, added simple test on ...


Wed, 19 Dec 2012 15:25:31 GMT Frederik Heber <heber@…> [3c1465]
	* src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified)
	* src/Potentials/Specifics/unittests/Makefile.am (added)
	* src/Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.cpp (added)
	* src/Potentials/Specifics/unittests/PairPotential_HarmonicUnitTest.hpp (added)
	* src/unittests/Makefile.am (modified)

	Added PairPotential_HarmonicUnitTest.

	- so far, we test the ...