- [x] Efficient jacobians (basis wrt positions) needed for ACE potential basis assembly for training - [x] Backward pass through full Lux-based ACE models - [x] 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
Moved to ACEpotentials: