#
# ChangeLog for tests/regression/Fragmentation/FitPotential/pre
#
# Generated by Trac 1.4.4
# Apr 6, 2025, 7:49:00 AM

Fri, 09 Aug 2013 14:20:37 GMT Frederik Heber <heber@…> [6550cf]
	* tests/regression/Fragmentation/FitPotential/pre/harmonic_homology.dat (added)
	* tests/regression/Fragmentation/FitPotential/testsuite-fragmentation-fit-potential.at (modified)

	Added regression test for harmonic_bond potential.


Fri, 09 Aug 2013 14:20:37 GMT Frederik Heber <heber@…> [791a12]
	* src/Potentials/Makefile.am (modified)
	* src/Potentials/PotentialFactory.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Improper.cpp (added)
	* src/Potentials/Specifics/FourBodyPotential_Improper.hpp (added)
	* src/Potentials/Specifics/PotentialTypes.def (modified)
	* src/Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.cpp (added)
	* src/Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.hpp (added)
	* src/Potentials/Specifics/unittests/Makefile.am (modified)
	* tests/regression/Fragmentation/FitPotential/pre/improper_homology.dat (added)
	* tests/regression/Fragmentation/FitPotential/testsuite-fragmentation-fit-potential.at (modified)

	Added improper potential based on torsion potential with flipped ...


Fri, 09 Aug 2013 14:20:37 GMT Frederik Heber <heber@…> [e2037e]
	* src/Potentials/Makefile.am (modified)
	* src/Potentials/PotentialFactory.cpp (modified)
	* src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (added)
	* src/Potentials/Specifics/FourBodyPotential_Torsion.hpp (added)
	* src/Potentials/Specifics/PotentialTypes.def (modified)
	* src/Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.cpp (added)
	* src/Potentials/Specifics/unittests/FourBodyPotential_TorsionUnitTest.hpp (added)
	* src/Potentials/Specifics/unittests/Makefile.am (modified)
	* tests/regression/Fragmentation/FitPotential/pre/torsion_homology.dat (added)
	* tests/regression/Fragmentation/FitPotential/testsuite-fragmentation-fit-potential.at (modified)

	Added FourBodyPotential_Torsion.

	- also added regression test to ...


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 ...


Fri, 03 May 2013 11:58:26 GMT Frederik Heber <heber@…> [48d20d]
	* configure.ac (modified)
	* src/Actions/FragmentationAction/FitPotentialAction.cpp (added)
	* src/Actions/FragmentationAction/FitPotentialAction.def (added)
	* src/Actions/FragmentationAction/FitPotentialAction.hpp (added)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/LevMartester.cpp (deleted)
	* src/Makefile.am (modified)
	* src/documentation/constructs/constructs.dox (modified)
	* src/documentation/constructs/potentials.dox (modified)
	* src/documentation/install.dox (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Fragmentation/FitPotential/pre/angle_homology.dat (added)
	* tests/regression/Fragmentation/FitPotential/pre/length_homology.dat (added)
	* tests/regression/Fragmentation/FitPotential/testsuite-fragmentation-fit-potential.at (added)
	* tests/regression/Fragmentation/testsuite-fragmentation.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/testsuite.at (modified)

	Added new action FitPotentialAction to fit empirical potentials.

	- ...