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Perf & correctness fixes: RMSD warp-shuffle, TFD precision, eigensolver persistence, similarity cache, BFGS sign fix, fused Butina sync reduction #177

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Merged
scal444 merged 5 commits into from
May 26, 2026

Fix ruff format: collapse torch.stack call to single line (fits withi…

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Merged

Perf & correctness fixes: RMSD warp-shuffle, TFD precision, eigensolver persistence, similarity cache, BFGS sign fix, fused Butina sync reduction #177

Fix ruff format: collapse torch.stack call to single line (fits withi…
c84f5a5
Select commit
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