8000 Release v0.3.3 · CederGroupHub/chgnet · GitHub
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@janosh janosh released this 07 Dec 22:56
· 89 commits to main since this release
v0.3.3
db40e05

What's Changed

🐛 Bug Fixes

  • Replace ase ExpCellFilter with FrechetCellFilter in StructOptimizer by @janosh in #101

If you encounter ase.filters import issue, please install the newest ase from their source before the next ase release:
pip install git+https://gitlab.com/ase/ase

🛠 Enhancements

  • Add ase_filter keyword to StructOptimizer.relax() by @janosh in #102

Full Changelog: v0.3.2...v0.3.3

Contributors

janosh
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