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Float64 precision for static tests#408

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joehart2001 merged 4 commits intoddmms:mainfrom
kuryla:float_precision
Mar 5, 2026
Merged

Float64 precision for static tests#408
joehart2001 merged 4 commits intoddmms:mainfrom
kuryla:float_precision

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@kuryla kuryla commented Mar 4, 2026

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Summary

For tests involving static calculations and geometry optimizations, float64 precision is used. This is to fix the noisy energy numbers that some models (such as mace-polar-1) give with float32.

Linked issue

Resolves #

Testing

Evaluated modified tests with MACE-OMOL

ElliottKasoar
ElliottKasoar previously approved these changes Mar 5, 2026
@ElliottKasoar ElliottKasoar added the enhancement New feature or request label Mar 5, 2026
Co-authored-by: Joseph Hart <92541539+joehart2001@users.noreply.github.com>
@joehart2001 joehart2001 merged commit b5757b6 into ddmms:main Mar 5, 2026
kuryla added a commit to kuryla/ml-peg-omol that referenced this pull request Mar 12, 2026
Co-authored-by: Domantas Kuryla <dk584@icepc16>
Co-authored-by: ElliottKasoar <45317199+ElliottKasoar@users.noreply.github.com>
Co-authored-by: Joseph Hart <92541539+joehart2001@users.noreply.github.com>
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3 participants