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Handle gibbs performance issues - #705

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haralde merged 2 commits into
mainfrom
optimize-gibbs
May 22, 2026
Merged

Handle gibbs performance issues#705
haralde merged 2 commits into
mainfrom
optimize-gibbs

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@haralde

@haralde haralde commented May 21, 2026

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  • Improve gibbs performance by relaxing the convergence setting

  • Call reactor.run in a separate thread to avoid blocking of backend.
    Note: The jvm process will still run after thread timeout, we cannot kill jvm process from python. Might disable the SRK-cubic option entirely since this seems to never converge?

@haralde
haralde marked this pull request as ready for review May 21, 2026 08:12
@haralde
haralde merged commit dca1843 into main May 22, 2026
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@haralde
haralde deleted the optimize-gibbs branch May 22, 2026 07:09
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