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Copy file name to clipboardExpand all lines: CHANGELOG.md
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@@ -15,13 +15,15 @@ Most recent change on the top.
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- batched AOTI inference
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- per-edge-type cutoff can now lead to cost reduction in the LAMMPS ML-IAP interface
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- optional `--constant-fold` acceleration argument for `nequip-compile --mode aotinductor` that can provide small speed ups for PyTorch >= 2.8 (may fail with some models, please open issues if that such instances are encountered)
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- OpenEquivariance is now compatible with AOTInductor compilation for ASE inference with PyTorch >= 2.9
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### Removed
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-[Breaking]`NequIPGNNEnergyModel` has been removed. Energy-only models can be constructed by using `NequIPGNNModel` with a new argument `do_derivatives=False`
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### Changed
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- Simplified metrics manager wrappers now include maximum absolute error metrics
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-[Breaking]`ChemicalSpeciesToAtomTypeMapper` and `NequIPCalculator` API changed for safety and better UI with regards to atom types when using pretrained models
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-[Breaking] raise minimum PyTorch version for OpenEquivariance to PyTorch >= 2.7 (previously >= 2.4)
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