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
andget_ase_optimizer
by @janosh in #16
New Contributors
Full Changelog: v0.0.3...v0.0.4