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Fix optimization when davidson fails #1140

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merged 1 commit into from
Nov 27, 2024

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foxtran
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@foxtran foxtran commented Nov 27, 2024

In rare cases when davidson fails, solver_sspevx was called. Unfortunately, it did not update fail variable, so, if it even was successful, fail variable still was true and therefore optimization was failing.

This patch fixes this issue.

Signed-off-by: Igor S. Gerasimov <i.s.ger@ya.ru>
@foxtran foxtran force-pushed the fix/optimization-fail branch from 8996923 to c00a9da Compare November 27, 2024 06:11
@Albkat Albkat added the easy to fix This issue has a low difficulty and little entry-barrier, great to get started with this project label Nov 27, 2024
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Thanks for the patch, lgtm

@Albkat Albkat merged commit 99b3583 into grimme-lab:main Nov 27, 2024
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