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v0.0.4

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@janosh janosh released this 01 Jan 18:46
· 106 commits to main since this release

What's Changed

  • Add MACE to recognized UNIVERSAL_CALCULATORS by @janosh in #11
  • Improvements to EOS and Elasticity calculators by @PROA200 in #12
  • Add NEBCalculator with M3GNet and CHGNet example notebook by @JiQi535 in #13
  • Fix get_universal_calculator AttributeError: 'SumCalculator' object has no attribute 'lower' by @janosh in #15
  • Define util functions is_ase_optimizer and get_ase_optimizer by @janosh in #16

New Contributors

Full Changelog: v0.0.3...v0.0.4