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Remove upper triangular cell call in NVT ensemble#189

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shyuep merged 2 commits intomaterialyzeai:mainfrom
Andrew-S-Rosen:patch-9
Apr 10, 2026
Merged

Remove upper triangular cell call in NVT ensemble#189
shyuep merged 2 commits intomaterialyzeai:mainfrom
Andrew-S-Rosen:patch-9

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Closes #188.

Closes materialyzeai#188.

Signed-off-by: Andrew S. Rosen <asrosen93@gmail.com>
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Looks like all unrelated errors to me...

@shyuep shyuep merged commit cdba41f into materialyzeai:main Apr 10, 2026
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shyuep commented Apr 10, 2026

Thanks.

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[Bug]: Seemingly unnecessary upper triangular transformation in NVT MD

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