Fix signature mismatch in sire callback#68
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kzinovjev wants to merge 1 commit intochemle:mainfrom
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Have you tried using the development branch? I've been using it with the cell argument with no issue so far. |
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Ah, indeed, haven't checked the devel one, sorry! Never mind then 😅 |
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There is a new release of Sire with the new |
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@lohedges, I meant the devel branch of emle-engine! I confirm it's working with |
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Ah, that makes sense. Sorry for my confusion 🤦♂️ |
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That said, I can now merge the updates across to |
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That would be great. It's been working great on my end. Thanks! |
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Currently OpenMM implementation is broken due to missing "cell" argument in sire callback. This fIxes it.