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Allow using chemfiles structures as input#512

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ceriottm merged 1 commit intolab-cosmo:mainfrom
Luthaf:chemfiles
Feb 14, 2026
Merged

Allow using chemfiles structures as input#512
ceriottm merged 1 commit intolab-cosmo:mainfrom
Luthaf:chemfiles

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@Luthaf Luthaf commented Feb 3, 2026

The plot in #506 pushed me over the edge to implement this =)

Do not merge yet, I need to add a tutorial/docs/tests/…

@Luthaf Luthaf requested a review from sofiia-chorna February 3, 2026 15:58
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very cool 😁

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@Luthaf Luthaf marked this pull request as ready for review February 10, 2026 13:08
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Luthaf commented Feb 10, 2026

This is still missing tutorial and docs, but should at least work and be tested!

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i like a lot the code, it is so clean and readable! i left some questions:

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thanks a lot, looks good and works well! a doc with an example would be useful but we can add it separately if that's good for you

@ceriottm ceriottm merged commit 6496eec into lab-cosmo:main Feb 14, 2026
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3 participants