v0.0.4

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

• @PROA200 made their first contribution in #12
• @JiQi535 made their first contribution in #13

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

v0.0.3

What's Changed

• More flexible get_universal_calculator() by @janosh in #4
• get_universal_calculator() return ASE calculators as-is by @janosh in #5
• Rename EOSCalc return dict keys by @janosh in #6
• Improve EOSCalc test coverage by @janosh in #7

Full Changelog: v0.0.2...v0.0.3

v0.0.2

• Minor updates to returned dicts.