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Remove unnecessary stress evaluation in NPTLangevin#528

Merged
thomasloux merged 1 commit intoTorchSim:mainfrom
thomasloux:fix/remove-unnecessary-model-evaluation
Apr 2, 2026
Merged

Remove unnecessary stress evaluation in NPTLangevin#528
thomasloux merged 1 commit intoTorchSim:mainfrom
thomasloux:fix/remove-unnecessary-model-evaluation

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Summary

Needed before stress was added to NPTState.
I've checked manually that the model_output["stress"] and state.stress were identical.
Also JAXMD only runs one evaluation

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@thomasloux thomasloux merged commit 6c8d562 into TorchSim:main Apr 2, 2026
63 of 69 checks passed
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2 participants