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# ChangeLog for src/Actions/MoleculeAction/ForceAnnealingAction.def
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# Generated by Trac 1.6
# May 25, 2025, 2:13:28 PM

Tue, 10 Apr 2018 06:43:11 GMT Frederik Heber <frederik.heber@…> [2bb3be]
	* src/Actions/MoleculeAction/ForceAnnealingAction.cpp (modified)
	* src/Actions/MoleculeAction/ForceAnnealingAction.def (modified)
	* tests/regression/Molecules/ForceAnnealing/post/test.conf (modified)
	* tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (modified)

	Removed DoOutput param from ForceAnnealing.

	- TESTFIX: Modifying ...


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 ...


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 ...


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.
	- ...