#
# ChangeLog for tests/regression/Potential
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# Generated by Trac 1.4.4
# Jan 8, 2025, 8:28:21 PM

Sun, 28 Feb 2016 17:59:42 GMT Frederik Heber <heber@…> [50d49d]
	* doc/userguide/userguide.xml (modified)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/PotentialAction/FitPartialChargesAction.cpp (moved)
	* src/Actions/PotentialAction/FitPartialChargesAction.def (moved)
	* src/Actions/PotentialAction/FitPartialChargesAction.hpp (moved)
	* tests/GuiChecks/Makefile.am (modified)
	* tests/GuiChecks/Potential/FitParticleCharges/testsuite-potential-fit-partial-charges.at (moved)
	* tests/GuiChecks/Potential/testsuite-potential.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Potential/FitPartialCharges/pre/homology_grid.dat (moved)
	* tests/regression/Potential/FitPartialCharges/pre/water.pdb (moved)
	* tests/regression/Potential/FitPartialCharges/testsuite-potential-fit-partial-charges.at (moved)
	* tests/regression/Potential/testsuite-potential.at (modified)

	FIX: Renamed FitParticleCharges -> FitPartialCharges.

	- fitting ...


Tue, 09 Feb 2016 07:10:23 GMT Frederik Heber <heber@…> [b8f2ea]
	* src/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.hpp (modified)
	* src/Potentials/PotentialTrainer.cpp (modified)
	* tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified)

	FIX: PotentialTrainer did not use user-specified threshold so far.
 ...


Tue, 03 Feb 2015 08:01:55 GMT Frederik Heber <heber@…> [c0db90]
	* tests/regression/Options/Session/testsuite-options-load-session-python.at (modified)
	* tests/regression/Options/Session/testsuite-options-store-session-python.at (modified)
	* tests/regression/Potential/FitParticleCharges/testsuite-potential-fit-particle-charges.at (modified)

	FIX: We must use --help directly instead of --actionname in checking ...


Mon, 02 Feb 2015 19:20:43 GMT Frederik Heber <heber@…> [55feff5]
	* src/Actions/CommandAction/HelpAction.def (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Options/Help/testsuite-options-help.at (modified)
	* tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified)

	Removed extra option actionname from HelpAction.

	- this shortens ...


Sun, 19 Oct 2014 17:08:51 GMT Frederik Heber <heber@…> [0ea063]
	* doc/userguide/userguide.xml (modified)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/PotentialAction/FitCompoundPotentialAction.cpp (modified)
	* src/Actions/PotentialAction/FitCompoundPotentialAction.def (modified)
	* src/Actions/PotentialAction/FitPotentialAction.cpp (modified)
	* src/Actions/PotentialAction/FitPotentialAction.def (modified)
	* src/Actions/PotentialAction/SavePotentialsAction.cpp (added)
	* src/Actions/PotentialAction/SavePotentialsAction.def (added)
	* src/Actions/PotentialAction/SavePotentialsAction.hpp (added)
	* src/Potentials/PotentialTrainer.cpp (modified)
	* src/Potentials/PotentialTrainer.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified)

	Extracted SavePotentialsAction.

	- PotentialTrainer::StorePotentials ...


Fri, 27 Jun 2014 11:45:13 GMT Frederik Heber <heber@…> [1dbbeb]
	* tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified)

	TESTFIX: reduced required threshold for fit-potential regression ...


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 ...


Mon, 12 Aug 2013 11:30:33 GMT Frederik Heber <heber@…> [f5724f]
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/PotentialAction/FitParticleChargesAction.cpp (moved)
	* src/Actions/PotentialAction/FitParticleChargesAction.def (moved)
	* src/Actions/PotentialAction/FitParticleChargesAction.hpp (moved)
	* src/Actions/PotentialAction/FitPotentialAction.cpp (moved)
	* src/Actions/PotentialAction/FitPotentialAction.def (moved)
	* src/Actions/PotentialAction/FitPotentialAction.hpp (moved)
	* src/Actions/PotentialAction/ParseHomologiesAction.cpp (moved)
	* src/Actions/PotentialAction/ParseHomologiesAction.def (moved)
	* src/Actions/PotentialAction/ParseHomologiesAction.hpp (moved)
	* src/Actions/PotentialAction/SaveHomologiesAction.cpp (moved)
	* src/Actions/PotentialAction/SaveHomologiesAction.def (moved)
	* src/Actions/PotentialAction/SaveHomologiesAction.hpp (moved)
	* src/UIElements/CommandLineUI/CommandLineParser.cpp (modified)
	* src/UIElements/CommandLineUI/CommandLineParser.hpp (modified)
	* src/UIElements/Menu/MenuDescription.cpp (modified)
	* tests/regression/Fragmentation/testsuite-fragmentation.at (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Potential/FitParticleCharges/pre/homology_grid.dat (moved)
	* tests/regression/Potential/FitParticleCharges/pre/water.pdb (moved)
	* tests/regression/Potential/FitParticleCharges/testsuite-potential-fit-particle-charges.at (moved)
	* tests/regression/Potential/FitPotential/pre/angle_homology.dat (moved)
	* tests/regression/Potential/FitPotential/pre/harmonic_homology.dat (moved)
	* tests/regression/Potential/FitPotential/pre/improper_homology.dat (moved)
	* tests/regression/Potential/FitPotential/pre/length_homology.dat (moved)
	* tests/regression/Potential/FitPotential/pre/lj_homology.dat (moved)
	* tests/regression/Potential/FitPotential/pre/torsion_homology.dat (moved)
	* tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (moved)
	* tests/regression/Potential/testsuite-potential.at (added)
	* tests/regression/testsuite.at (modified)

	Moved all FragmentationActions related to potentials into own menu ...