#
# ChangeLog for src/Dynamics/BondVectors.cpp
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# Generated by Trac 1.4.4
# Apr 11, 2025, 4:22:17 PM

Wed, 29 Nov 2017 23:06:25 GMT Frederik Heber <frederik.heber@…> [0dd99b]
	* 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 ...


Sun, 12 Nov 2017 08:48:40 GMT Frederik Heber <frederik.heber@…> [30e1a4]
	* src/Dynamics/BondVectors.cpp (modified)
	* src/Dynamics/BondVectors.hpp (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)

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

	- No ...


Sun, 12 Nov 2017 08:48:40 GMT Frederik Heber <frederik.heber@…> [06b7d9]
	* 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 ...


Sun, 12 Nov 2017 08:48:39 GMT Frederik Heber <frederik.heber@…> [1f244c]
	* src/Dynamics/BondVectors.cpp (modified)
	* src/Dynamics/BondVectors.hpp (modified)
	* src/Dynamics/ForceAnnealing.hpp (modified)

	Extracted calculation of weights per atom into BondVectors.


Sun, 12 Nov 2017 08:48:39 GMT Frederik Heber <frederik.heber@…> [24430b]
	* 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.

	- ...


Sat, 11 Nov 2017 09:01:30 GMT Frederik Heber <frederik.heber@…> [8f50b4]
	* src/Dynamics/BondVectors.cpp (added)
	* src/Dynamics/BondVectors.hpp (added)
	* src/Dynamics/BondVectors_impl.hpp (added)
	* src/Makefile.am (modified)

	Added helper class BondVectors.