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Allow optimizer to be configured for MACE/GAP #615

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merged 9 commits into from
Nov 17, 2023

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CompRhys
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@CompRhys CompRhys commented Nov 17, 2023

Summary

Previously optimizer_kwargs not passed for GAP, this was inhereited in initial MACE implementation but this PR corrects and changes the MACE test to use a new optimizer

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@CompRhys CompRhys changed the base branch from main to mace-calcs-dont-load-bad-model-by-default November 17, 2023 15:22
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@janosh janosh left a comment

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Thanks @CompRhys! 👍

@janosh janosh changed the base branch from mace-calcs-dont-load-bad-model-by-default to main November 17, 2023 17:41
@janosh janosh merged commit d693643 into materialsproject:main Nov 17, 2023
3 of 6 checks passed
@utf utf added the enhancement Improvements to existing features label Jan 8, 2024
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3 participants