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Update MOF-303 mace model. - #106

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lipelopesoliveira merged 2 commits into
lipelopesoliveira:mainfrom
hdsassnick:update_MOF-303_mlip
Aug 11, 2026
Merged

Update MOF-303 mace model.#106
lipelopesoliveira merged 2 commits into
lipelopesoliveira:mainfrom
hdsassnick:update_MOF-303_mlip

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@hdsassnick

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Pull Request

Description 📝

This PR merely updates the MOF-303 mace MLIP to match the one used in the FLAMES paper.

Changes Proposed 🔧

  • This only affects the tests for the GCMC, TMMC, Widom classes.

Related Issues 📎

Before submitting 📌

  • I've read and followed all steps in the Making a pull request
    section of the CONTRIBUTING docs.
  • I've updated or added any relevant docstrings following the syntax described in the
    Writing docstrings section of the CONTRIBUTING docs.
  • If this PR fixes a bug, I've added a test that will fail without my fix.
  • If this PR adds a new feature, I've added tests that sufficiently cover my new functionality.

Testing Instructions 🧪

Additional Notes 💬

@lipelopesoliveira

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@hdsassnick Are still working on it or can I merge these modifications?

@hdsassnick

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@hdsassnick Are still working on it or can I merge these modifications?

Yes, this one can be merged. I will create another PR for the TMMC example/documentation.

@lipelopesoliveira
lipelopesoliveira merged commit d9caf0f into lipelopesoliveira:main Aug 11, 2026
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2 participants