#
# ChangeLog for src/Actions/PotentialAction/FitPotentialAction.def
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# Generated by Trac 1.4.4
# Apr 6, 2025, 11:29:42 PM

Tue, 09 Feb 2016 07:11:35 GMT Frederik Heber <heber@…> [b40690]
	* doc/userguide/userguide.xml (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/FunctionApproximation/FunctionApproximation.cpp (modified)
	* src/FunctionApproximation/FunctionApproximation.hpp (modified)
	* src/Potentials/PotentialTrainer.cpp (modified)
	* src/Potentials/PotentialTrainer.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	Fit..PotentialAction now allow setting maximum number of optimization ...


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 ...


Sun, 19 Oct 2014 17:08:36 GMT Frederik Heber <heber@…> [98d166]
	* doc/userguide/userguide.xml (modified)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/PotentialAction/FitCompoundPotentialAction.cpp (added)
	* src/Actions/PotentialAction/FitCompoundPotentialAction.def (added)
	* src/Actions/PotentialAction/FitCompoundPotentialAction.hpp (added)
	* src/Actions/PotentialAction/FitPotentialAction.cpp (modified)
	* src/Actions/PotentialAction/FitPotentialAction.def (modified)
	* src/Potentials/Makefile.am (modified)
	* src/Potentials/PotentialTrainer.cpp (added)
	* src/Potentials/PotentialTrainer.hpp (added)

	Split FitPotentialAction into two actions.

	- FitPotentialAction ...


Tue, 09 Sep 2014 22:09:57 GMT Frederik Heber <heber@…> [95cfac]
	* src/Actions/CommandAction/BondLengthTableAction.def (modified)
	* src/Actions/CommandAction/ElementDbAction.def (modified)
	* src/Actions/CommandAction/LoadSessionAction.def (modified)
	* src/Actions/CommandAction/StoreSessionAction.def (modified)
	* src/Actions/FragmentationAction/ClearFragmentationResultsAction.def (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.def (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.def (modified)
	* src/Actions/PotentialAction/FitPotentialAction.def (modified)

	Added FileSuffixValidator to all Actions where missing but ...


Tue, 29 Apr 2014 12:42:44 GMT Frederik Heber <heber@…> [5eaa23]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def (modified)
	* src/Actions/FragmentationAction/FragmentationAction.def (modified)
	* src/Actions/FragmentationAction/MolecularDynamicsAction.def (modified)
	* src/Actions/MoleculeAction/VerletIntegrationAction.def (modified)
	* src/Actions/PotentialAction/FitPotentialAction.def (modified)

	Added sensible default values to MolecularDynamics sequence of
	Actions.


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 ...


