#
# ChangeLog for src/Potentials/Specifics/SaturationPotential.cpp
#
# Generated by Trac 1.4.4
# Mar 20, 2025, 5:31:26 AM

Mon, 08 Jul 2013 14:22:01 GMT Frederik Heber <heber@…> [fdd23a]
	* src/Potentials/EmpiricalPotential.hpp (modified)
	* src/Potentials/PotentialFactory.cpp (modified)
	* src/Potentials/PotentialFactory.hpp (modified)
	* src/Potentials/PotentialRegistry.cpp (modified)
	* src/Potentials/PotentialRegistry.hpp (modified)
	* src/Potentials/SerializablePotential.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)

	EmpiricalPotential now inherits/combines FunctionModel, ...


Wed, 27 Feb 2013 12:43:29 GMT Frederik Heber <heber@…> [5c3ad5]
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.hpp (modified)

	Modified SaturationPotential to allow fitting to e.g. HCC as well.
 ...


Wed, 27 Feb 2013 12:43:29 GMT Frederik Heber <heber@…> [035c0d]
	* src/FunctionApproximation/FunctionModel.hpp (modified)
	* src/LevMartester.cpp (modified)
	* src/Potentials/PotentialFactory.cpp (modified)
	* src/Potentials/PotentialFactory.hpp (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)

	Removed typedef charges_t from FunctionModel, using ...


Wed, 27 Feb 2013 12:43:29 GMT Frederik Heber <heber@…> [da2d5c]
	* src/FunctionApproximation/FunctionModel.hpp (modified)
	* 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)

	Removed parameter charges from getFragmentSpecificExtractor().


Wed, 27 Feb 2013 12:43:29 GMT Frederik Heber <heber@…> [3d2559]
	* src/Potentials/SerializablePotential.cpp (modified)
	* src/Potentials/SerializablePotential.hpp (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.hpp (modified)

	Added virtual stream_to/from functions to SerializablePotential.

	- ...


Wed, 27 Feb 2013 12:42:37 GMT Frederik Heber <heber@…> [a82127]
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)

	FIX: SaturationPotential takes both angles in each triple.

	- ...


Wed, 27 Feb 2013 12:39:03 GMT Frederik Heber <heber@…> [0dad5f]
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.hpp (modified)

	SaturationPotential now has an internal triplefunction.

	- ...


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 12:39:03 GMT Frederik Heber <heber@…> [dbf8c8]
	* src/LevMartester.cpp (modified)
	* 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/SaturationPotential.cpp (modified)

	FIX: Now default parameters are present for every potential and used ...


Wed, 27 Feb 2013 12:36:17 GMT Frederik Heber <heber@…> [b760bc3]
	* src/Potentials/Makefile.am (modified)
	* src/Potentials/ParticleTypeCheckers.cpp (added)
	* src/Potentials/ParticleTypeCheckers.hpp (added)
	* 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/SaturationPotential.cpp (modified)

	Added ParticleTypeChecker functions in own namespace and added checks ...


Wed, 27 Feb 2013 11:45:14 GMT Frederik Heber <heber@…> [93e908]
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.hpp (modified)

	Added SaturationPotential::symmetrizeTypes() to get types for both ...


Mon, 25 Feb 2013 17:29:09 GMT Frederik Heber <heber@…> [b3eabc]
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.hpp (modified)

	SaturationPotential now requires symmetric distances.


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 17:28:57 GMT Frederik Heber <heber@…> [2ba2ed]
	* src/LevMartester.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)
	* src/Potentials/Specifics/SaturationPotential.hpp (modified)

	FIX: SaturationPotential's parameter derivatives seem to be working ...


Sun, 24 Feb 2013 12:57:42 GMT Frederik Heber <heber@…> [94f567]
	* src/Potentials/Specifics/SaturationPotential.cpp (modified)

	Added check if result of SaturationPotential::parameter_derivative is ...


Sun, 24 Feb 2013 12:57:26 GMT Frederik Heber <heber@…> [4ffbb7]
	* src/Potentials/Makefile.am (modified)
	* src/Potentials/Specifics/SaturationPotential.cpp (added)
	* src/Potentials/Specifics/SaturationPotential.hpp (added)

	Added SaturatonPotential that combines a Morse and a Angle potential.