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Fix uninitialized variable in LBFGS #1525

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merged 2 commits into from
Aug 28, 2024
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@aradi aradi commented Aug 26, 2024

Hopefully fixes indeterministic behavior of the old LBFGS which made GaAs_8_latopt_lbfgs test fail in certain cases.

Additionally macro used for debugging added.
@aradi aradi marked this pull request as ready for review August 28, 2024 13:00
@bhourahine bhourahine merged commit 376642a into dftbplus:main Aug 28, 2024
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@aradi aradi deleted the fixLbfgs branch September 10, 2024 19:34
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2 participants