source: src/Dynamics/BondVectors.hpp

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(edit) @0dd99b   7 years frederik.heber Rewrote annealWithBondGraph_BarzilaiBorwein() to simply distinguish … ForceAnnealing_with_BondGraph_continued_betteresults
(edit) @30e1a4   7 years frederik.heber BondVectors::getRemnant...() now requires atom's gradient. - No more … ForceAnnealing_with_BondGraph_continued_betteresults
(edit) @06b7d9   7 years frederik.heber We now obtain weights via levmar minimization. - this should yield … ForceAnnealing_with_BondGraph_continued_betteresults
(edit) @1f244c   7 years frederik.heber Extracted calculation of weights per atom into BondVectors. ForceAnnealing_with_BondGraph_continued_betteresults
(edit) @24430b   7 years frederik.heber BondVectors now return subset of BondVectors for a given atom. - … ForceAnnealing_with_BondGraph_continued_betteresults
(add) @8f50b4   7 years frederik.heber Added helper class BondVectors. ForceAnnealing_with_BondGraph_continued_betteresults
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