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Bump nequip from 0.17.1 to 0.18.0#1488

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Bump nequip from 0.17.1 to 0.18.0#1488
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dependabot/pip/nequip-0.18.0

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@dependabot dependabot Bot commented on behalf of github Jun 1, 2026

Bumps nequip from 0.17.1 to 0.18.0.

Release notes

Sourced from nequip's releases.

v0.18.0

[0.18.0]

Added

  • XPU support for training and inference on Aurora
  • Muon optimizer support
  • validation-time XYZ file writer callback support
  • MappedFieldModifier for mapped field transformations

Changed

  • train-time compilation now uses fullgraph=False

Fixed

Changelog

Sourced from nequip's changelog.

[0.18.0]

Added

  • XPU support for training and inference on Aurora
  • Muon optimizer support
  • validation-time XYZ file writer callback support
  • MappedFieldModifier for mapped field transformations

Changed

  • train-time compilation now uses fullgraph=False

Fixed

Commits
  • 0cb8866 update CHANGELOG
  • 189a48a update node tensor embedding with parity considerations
  • eb1bb3d extend node embed module to have configurable init modes
  • c2ec1f2 correct chemical species to atom type mapping concerns
  • 6112c48 make mliap integration safer
  • cc15943 fix MLIAP to use pruner for type dependent cutoffs
  • 7fab36c bump to v0.18.0
  • 74c7689 extend packaging infra
  • 4dff5ce add node tensor embedding module
  • 7d24d2e use dataclass to sanitize node init
  • Additional commits viewable in compare view

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Bumps [nequip](https://github.com/mir-group/nequip) from 0.17.1 to 0.18.0.
- [Release notes](https://github.com/mir-group/nequip/releases)
- [Changelog](https://github.com/mir-group/nequip/blob/main/CHANGELOG.md)
- [Commits](mir-group/nequip@v0.17.1...v0.18.0)

---
updated-dependencies:
- dependency-name: nequip
  dependency-version: 0.18.0
  dependency-type: direct:development
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot Bot added dependencies Pull requests that update a dependency file python Pull requests that update python code labels Jun 1, 2026
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