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Published 20 hours ago • verified publisher icon torchmd

Force gradient regularization

Open RaulPPelaez opened this issue 1 year ago • 0 comments

This PR introduces a new optional term to the loss that depends on the gradient of the force. The hope here is that by penalizing large force gradients the resulting forces will be smoother.

RaulPPelaez avatar Jun 21 '24 07:06 RaulPPelaez