Orb Upstream Models break interface. #535
Description
orbital-materials/orb-models#158 -- they squeeze single atom system energy breaking required tensor shapes.
orbital-materials/orb-models#159 -- direct models with 20 nbrs show batch discrepancies in the predicted energy.
#533 chose to mark these as expected failures and this issue tracks their resolution upstream. Once resolved the minimum pin should be bumped. Using the conservative orb model for batched simulations is fine and will not surface these issues. The model interface is 99% correct and the single atom is a minor edge case.
The energy issues with the batched energy are a function of the model and can be reproduced outside the torchsim ecosystem. This issue not connected to torchsim.