#
# ChangeLog for src/Dynamics/BondVectors.hpp
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# Generated by Trac 1.4.4
# Mar 30, 2025, 10:11:24 AM

Wed, 20 Jun 2018 08:20:42 GMT Frederik Heber <frederik.heber@…> [83956e]
	* src/Dynamics/BondVectors.cpp (modified)
	* src/Dynamics/BondVectors.hpp (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)
	* src/Graph/BoostGraphCreator.hpp (modified)

	Rewrote annealWithBondGraph_BarzilaiBorwein() to simply distinguish ...


Tue, 10 Apr 2018 06:43:30 GMT Frederik Heber <frederik.heber@…> [07d4b1]
	* src/Dynamics/BondVectors.cpp (modified)
	* src/Dynamics/BondVectors.hpp (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)

	BondVectors::getRemnant...() now requires atom's gradient.

	- No ...


Tue, 10 Apr 2018 06:43:30 GMT Frederik Heber <frederik.heber@…> [f433ec]
	* src/Dynamics/BondVectors.cpp (modified)
	* src/Dynamics/BondVectors.hpp (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)
	* src/Dynamics/unittests/BondVectorsUnitTest.cpp (modified)
	* src/Dynamics/unittests/Makefile.am (modified)
	* src/Makefile.am (modified)

	We now obtain weights via levmar minimization.

	- this should yield ...


Tue, 10 Apr 2018 06:43:30 GMT Frederik Heber <frederik.heber@…> [825d33]
	* src/Dynamics/BondVectors.cpp (modified)
	* src/Dynamics/BondVectors.hpp (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)

	Extracted calculation of weights per atom into BondVectors.


Tue, 10 Apr 2018 06:43:30 GMT Frederik Heber <frederik.heber@…> [9861d0]
	* src/Dynamics/BondVectors.cpp (modified)
	* src/Dynamics/BondVectors.hpp (modified)
	* src/Dynamics/BondVectors_impl.hpp (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)

	BondVectors now return subset of BondVectors for a given atom.

	- ...


Tue, 10 Apr 2018 06:43:30 GMT Frederik Heber <frederik.heber@…> [d51e62]
	* src/Dynamics/BondVectors.cpp (added)
	* src/Dynamics/BondVectors.hpp (added)
	* src/Dynamics/BondVectors_impl.hpp (added)
	* src/Makefile.am (modified)

	Added helper class BondVectors.