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Batched pairfunction cleanup#488

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CompRhys wants to merge 15 commits intomainfrom
batched-pairfunction-cleanup
Open

Batched pairfunction cleanup#488
CompRhys wants to merge 15 commits intomainfrom
batched-pairfunction-cleanup

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@CompRhys CompRhys commented Mar 3, 2026

Replace all the old classical pair potential backends with general backend, make this differentiable to enable diff_sim.py to work.

@CompRhys CompRhys changed the base branch from main to batched-pairfunction March 3, 2026 02:26
@CompRhys CompRhys added the breaking Breaking changes label Mar 3, 2026
Base automatically changed from batched-pairfunction to main March 3, 2026 03:45
@CompRhys CompRhys requested a review from abhijeetgangan March 3, 2026 04:13
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CompRhys commented Mar 3, 2026

The PR was looking so clean until these tests broke. They all use LJ models and have numerical consistency issues. Not sure what the bug might be :(

# </details>

# %%
import typing
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You can remove the example because it seems out of scope for torchsim.

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