#
# ChangeLog for src/Potentials/PotentialTrainer.cpp
#
# Generated by Trac 1.4.4
# Apr 14, 2025, 9:10:37 PM

Fri, 04 Nov 2016 09:37:48 GMT Frederik Heber <heber@…> [3400bb]
	* src/Potentials/PotentialTrainer.cpp (modified)

	MEMFIX: PotentialTrainer::operator() had potential memory leak.


Fri, 09 Sep 2016 08:22:09 GMT Frederik Heber <heber@…> [d33f24]
	* src/Potentials/PotentialTrainer.cpp (modified)

	Added additional checks to training data sensibility of
	PotentialTrainer.


Tue, 06 Sep 2016 14:36:46 GMT Frederik Heber <heber@…> [945797]
	* src/Potentials/PotentialTrainer.cpp (modified)
	* src/Potentials/PotentialTrainer.hpp (modified)

	FIX: PotentialTrainer::getFirstGraphwithSpecifiedElements() did not ...


Tue, 06 Sep 2016 14:36:46 GMT Frederik Heber <heber@…> [29ce5f]
	* src/Potentials/PotentialTrainer.cpp (modified)

	PotentialTrainer checks whether compound potential contains ...


Sat, 07 May 2016 07:03:56 GMT Frederik Heber <heber@…> [fde8e7]
	* src/Actions/PotentialAction/FitPotentialAction.cpp (modified)
	* src/Actions/PotentialAction/ParsePotentialsAction.cpp (modified)
	* src/Actions/PotentialAction/SavePotentialsAction.cpp (modified)
	* src/Potentials/Makefile.am (modified)
	* src/Potentials/PotentialDeserializer.cpp (deleted)
	* src/Potentials/PotentialDeserializer.hpp (deleted)
	* src/Potentials/PotentialSerializer.cpp (deleted)
	* src/Potentials/PotentialSerializer.hpp (deleted)
	* src/Potentials/PotentialTrainer.cpp (modified)
	* src/Potentials/RegistryDeserializer.hpp (added)
	* src/Potentials/RegistryDeserializer_impl.hpp (added)
	* src/Potentials/RegistrySerializer.hpp (added)
	* src/Potentials/RegistrySerializer_impl.hpp (added)

	Refactored PotentialSerializer and -Deserializer into more general ...


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 ...


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.
 ...


Wed, 22 Oct 2014 19:15:59 GMT Frederik Heber <heber@…> [e63edb]
	* src/Actions/PotentialAction/FitParticleChargesAction.cpp (modified)
	* src/Potentials/PotentialTrainer.cpp (modified)

	MEMFIX: PotentialTrainer::getFirstGraphwithSpecifiedElements() used ...


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 ...