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Geometry optimizer #60

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baumeier opened this issue Nov 25, 2017 · 2 comments
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Geometry optimizer #60

baumeier opened this issue Nov 25, 2017 · 2 comments
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Review BFGS-TRM implementation, add plain BFGS, state filter based on wave function or density matrix.
@pmadhikar pmadhikar mentioned this issue Apr 13, 2018
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Drop this issue due to presence of Ceres and move state-based/density matrix based filtering into separate issue?

@JensWehner JensWehner mentioned this issue Sep 4, 2018
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JensWehner commented Oct 15, 2018 •
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New bfgs was implemented in #161

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