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Remove mean position during LNCI16#487

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ElliottKasoar merged 1 commit into
ddmms:mainfrom
ElliottKasoar:fix-lnci16
Jul 18, 2026
Merged

Remove mean position during LNCI16#487
ElliottKasoar merged 1 commit into
ddmms:mainfrom
ElliottKasoar:fix-lnci16

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Summary

Removes mean positions of atoms for LNCI16, which is currently necessary to run high precision with mace-polar-1-l without memory issues on most devices, and increases the speed considerably too.

Testing

Tested on a 32 core EPYC 7502P. Still unable to run locally.

Further testing should be done to confirm other models are unchanged, but this didn't affect mace-polar-1-m.

@ElliottKasoar ElliottKasoar added the enhancement New feature or request label Apr 20, 2026
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ElliottKasoar marked this pull request as ready for review June 23, 2026 10:10
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@joehart2001 I've tested this for a few different models (including polar models and it doesn't seem to change the values

@joehart2001 joehart2001 left a comment

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great thanks

@ElliottKasoar
ElliottKasoar merged commit b0ad23c into ddmms:main Jul 18, 2026
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ElliottKasoar deleted the fix-lnci16 branch July 18, 2026 01:03
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2 participants