#
# ChangeLog for src/Potentials/Specifics/PairPotential_LennardJones.cpp
#
# Generated by Trac 1.4.4
# Apr 2, 2025, 8:09:55 PM

Fri, 11 Nov 2016 14:25:36 GMT Frederik Heber <heber@…> [9c793c]
	* src/FunctionApproximation/Extractors.cpp (modified)
	* src/FunctionApproximation/Extractors.hpp (modified)
	* src/Potentials/EmpiricalPotential.hpp (modified)
	* src/Potentials/Specifics/ConstantPotential.cpp (modified)
	* src/Potentials/Specifics/ConstantPotential.hpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Improper.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Improper.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)
	* tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified)

	All ..Potentials now return BindingModel instead of HomologyGraph, ...


Fri, 04 Nov 2016 09:37:51 GMT Frederik Heber <heber@…> [e60558]
	* src/FunctionApproximation/Extractors.cpp (modified)
	* src/FunctionApproximation/Extractors.hpp (modified)
	* src/FunctionApproximation/FunctionModel.hpp (modified)
	* src/FunctionApproximation/TrainingData.cpp (modified)
	* src/Potentials/CompoundPotential.cpp (modified)
	* src/Potentials/CompoundPotential.hpp (modified)
	* src/Potentials/Specifics/ConstantPotential.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.cpp (modified)
	* src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified)
	* src/UIElements/Views/Qt4/QtHomologyList.cpp (modified)

	Extractors require additionally the binding graph of the fragment ...


Fri, 04 Nov 2016 09:37:50 GMT Frederik Heber <heber@…> [67044a]
	* src/FunctionApproximation/Extractors.cpp (modified)
	* src/FunctionApproximation/Extractors.hpp (modified)
	* src/Potentials/Specifics/ConstantPotential.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.cpp (modified)
	* src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified)

	Extractors require additional binding model which EmpiricalPotentials ...


Fri, 04 Nov 2016 09:37:50 GMT Frederik Heber <heber@…> [d5ca1a]
	* src/Potentials/EmpiricalPotential.hpp (modified)
	* src/Potentials/Specifics/ConstantPotential.cpp (modified)
	* src/Potentials/Specifics/ConstantPotential.hpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Improper.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Improper.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)

	Added HomologyGraph describing binding model to every
	EmpiricalPotential.


Sun, 19 Oct 2014 17:13:09 GMT Frederik Heber <heber@…> [7d320c]
	* src/Potentials/Specifics/ConstantPotential.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Improper.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.cpp (modified)
	* src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified)

	MEMFIX: Static coordinator instances of specificv potentials need to ...


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 ...


Fri, 27 Jun 2014 21:32:55 GMT Frederik Heber <heber@…> [16227a]
	* src/FunctionApproximation/FunctionModel.hpp (modified)
	* src/Potentials/CompoundPotential.cpp (modified)
	* src/Potentials/CompoundPotential.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/Makefile.am (modified)
	* src/Potentials/unittests/Makefile.am (modified)

	Removed FunctionModel::getSpecificExtractor() that is not needed ...


Fri, 27 Jun 2014 11:43:27 GMT Frederik Heber <heber@…> [0932c2]
	* src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified)
	* src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified)
	* src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified)
	* src/Potentials/Specifics/PairPotential_Morse.cpp (modified)
	* src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified)
	* src/Potentials/Specifics/unittests/Makefile.am (modified)
	* src/Potentials/unittests/Makefile.am (modified)
	* src/RandomNumbers/RandomNumberEngine_Encapsulation.hpp (modified)
	* src/documentation/constructs/potentials.dox (modified)
	* tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified)

	FIX: RandomNumberEngine_Encapsulation::clone() did not set the seed ...


Sun, 06 Oct 2013 08:45:08 GMT Frederik Heber <heber@…> [94453f1]
	* src/Potentials/EmpiricalPotential.hpp (modified)
	* src/Potentials/Specifics/ConstantPotential.cpp (modified)
	* src/Potentials/Specifics/ConstantPotential.hpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Improper.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Improper.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)

	Added getCoordinator() to EmpiricalPotential interface.

	- ...


Fri, 09 Aug 2013 14:20:37 GMT Frederik Heber <heber@…> [1413f4]
	* src/Potentials/Makefile.am (modified)
	* src/Potentials/PotentialFactory.cpp (modified)
	* src/Potentials/Specifics/PairPotential_LennardJones.cpp (added)
	* src/Potentials/Specifics/PairPotential_LennardJones.hpp (added)
	* src/Potentials/Specifics/PotentialTypes.def (modified)
	* src/Potentials/Specifics/unittests/Makefile.am (modified)
	* src/Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.cpp (added)
	* src/Potentials/Specifics/unittests/PairPotential_LennardJonesUnitTest.hpp (added)
	* tests/regression/Fragmentation/FitPotential/pre/lj_homology.dat (added)
	* tests/regression/Fragmentation/FitPotential/testsuite-fragmentation-fit-potential.at (modified)

	Added LennardJones pair potential.

	- this is for later fitting ...