You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
@raimis I believe you wrote this, do you remember why it was decided not to include the box vectors here?
I am trying to add PBC to TorchMD-Net and stumbled upon this while trying to port the optimized GN there, which uses NNPOps components.
The text was updated successfully, but these errors were encountered:
The underlying CFConv implementation supports PBC, but CFConvNeighbors just hardcodes the box vectors as null.
NNPOps/src/pytorch/CFConvNeighbors.cpp
Line 74 in d15cb91
@raimis I believe you wrote this, do you remember why it was decided not to include the box vectors here?
I am trying to add PBC to TorchMD-Net and stumbled upon this while trying to port the optimized GN there, which uses NNPOps components.
The text was updated successfully, but these errors were encountered: