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@CompRhys CompRhys commented Oct 3, 2025

Summary

currently blocked by mir-group/nequip#553

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  • Tests have been added for any new functionality or bug fixes.

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@abhijeetgangan
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Could you explain me why a separate PR is needed?

@CompRhys
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CompRhys commented Oct 4, 2025

Only to elaborate the reasons already given above:

  • big PRs that introduce multiple things simultaneously are more obscure than breaking apart into feature PRs. This addition is orthogonal to that api change and my impression from meeting was that you guys still wanted to change some other things about the high level integration and optimization apis. Okay there's this issue uncovered with compiling the foundation models on CPU so this may take longer to merge but otherwise this was to my mind a quick helpful thing to do given the next reason.
  • We wanted to test something enabled by the nequip addition without needing to rewrite everything else we have using ts for the breaking api change.

@CompRhys CompRhys changed the title Pull forward nequip framework from #264 Test multi-element models in nequip-framework. Oct 9, 2025
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