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remove gradient in state.positions after mace forward #540

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remove gradient in state.positions after mace forward #540

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2 changes: 2 additions & 0 deletions torch_sim/models/mace.py
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Original file line number Diff line number Diff line change
Expand Up @@ -336,6 +336,8 @@ def forward( # noqa: C901
if stress is not None:
results["stress"] = stress.detach()

# Detach positions to prevent gradients from flowing back
state.positions = state.positions.detach()
return results


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