transform.TorchNeighborList
- class transform.TorchNeighborList(*args: Any, **kwargs: Any)[source]
Environment provider making use of neighbor lists as implemented in TorchAni
Supports cutoffs and PBCs and can be performed on either CPU or GPU.
References
https://github.com/aiqm/torchani/blob/master/torchani/aev.py
- Parameters:
cutoff – Cutoff radius for neighbor search.