#
# ChangeLog for src/Dynamics/ForceAnnealing.hpp
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# Generated by Trac 1.4.4
# Apr 1, 2025, 12:59:46 AM

Tue, 10 Apr 2018 06:43:11 GMT Frederik Heber <frederik.heber@…> [866dec]
	* src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/alkane-3.data (modified)
	* tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/PBC/alkane-3.data (modified)

	ForceAnnealing no longer resets forces, AnalyseFragmentResults now ...


Tue, 10 Apr 2018 06:43:11 GMT Frederik Heber <frederik.heber@…> [216840]
	* src/Actions/MoleculeAction/ForceAnnealingAction.cpp (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.def (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)

	ForceAnnealing accepts option deltat.


Tue, 10 Apr 2018 06:43:11 GMT Frederik Heber <frederik.heber@…> [b2acca]
	* src/Actions/MoleculeAction/ForceAnnealingAction.cpp (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.def (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)
	* tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (modified)

	ForceAnnealing can now be used either atom- or bond-centered.

	- new ...


Tue, 10 Apr 2018 06:43:11 GMT Frederik Heber <frederik.heber@…> [56b4c6]
	* src/Actions/MoleculeAction/ForceAnnealingAction.cpp (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.def (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	Added damping-factor as another option to ForceAnnealing for proper ...


Tue, 10 Apr 2018 06:43:11 GMT Frederik Heber <frederik.heber@…> [cdfb6f]
	* src/Actions/MoleculeAction/ForceAnnealingAction.cpp (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.def (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)
	* tests/Python/AllActions/options.dat (modified)

	ForceAnnealing now shifts atoms in the bond graph to anneal forces, ...


Wed, 04 Apr 2018 16:59:48 GMT Frederik Heber <frederik.heber@…> [322d58]
	* doc/userguide/userguide.xml (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.cpp (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.def (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)
	* tests/GuiChecks/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (modified)
	* tests/integration/testsuite-integration.at (modified)
	* tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (modified)

	ForceAnnealing now uses step width according to Barzilai-Borwein ...


Wed, 04 Apr 2018 16:59:48 GMT Frederik Heber <frederik.heber@…> [1e49e6]
	* src/Dynamics/ForceAnnealing.hpp (modified)

	Added reset() function to ForceAnnealing.


Wed, 20 Aug 2014 12:58:30 GMT Frederik Heber <heber@…> [7f833c]
	* src/Dynamics/ForceAnnealing.hpp (modified)

	Giving the maximum components over all force vectors in
	ForceAnnealing.


Wed, 20 Aug 2014 12:58:30 GMT Frederik Heber <heber@…> [1a48d2]
	* src/Actions/AtomAction/RemoveAction.def (modified)
	* src/Actions/GlobalListOfActions.hpp (modified)
	* src/Actions/Makefile.am (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.cpp (added)
	* src/Actions/MoleculeAction/ForceAnnealingAction.def (added)
	* src/Actions/MoleculeAction/ForceAnnealingAction.hpp (added)
	* src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified)
	* src/Dynamics/ForceAnnealing.hpp (added)
	* src/Makefile.am (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Molecules/ForceAnnealing/post/test-undo.conf (added)
	* tests/regression/Molecules/ForceAnnealing/post/test.conf (added)
	* tests/regression/Molecules/ForceAnnealing/pre/test.conf (added)
	* tests/regression/Molecules/ForceAnnealing/pre/test.forces (added)
	* tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (added)
	* tests/regression/Molecules/testsuite-molecules.at (modified)

	Added ForceAnnealingAction.

	- also added regression test.
	- ...