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v0.3.5

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@janosh janosh released this 11 Mar 15:27
· 51 commits to main since this release

What's Changed

🛠 Enhancements

  • Add assign_magmoms=True keyword to StructOptimizer.relax() by @janosh in #124

🚀 Performance

  • Use MPS backend if available and use_device=None, add CHGNET_DEVICE env var by @janosh in #131

🏥 Package Health

  • Add Python 3.12 to officially supported versions and test in CI by @janosh in #139

🤷‍♂️ Other Changes

  • Use new uv package manager to install deps in CI by @janosh in #133

Full Changelog: v0.3.4...v0.3.5