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Description
- Efficient jacobians (basis wrt positions) needed for ACE potential basis assembly for training
- Backward pass through full Lux-based ACE models
- Cleanup EquivariantTensors
- TRACE
- Bring back purification
Moved to ACEpotentials:
- Fully non-linear ACE fits - end-to-end Zygote-based AD through Lux-based ACE models
- Pre-trained/exported embeddings (e.g. from MACE) then used for linear ACE models or TRACE models
- Deprecate then drop support for pre-Lux models
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