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qvoronoi? periodic systems? #14

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eahenle opened this issue Feb 25, 2021 · 2 comments
Open

qvoronoi? periodic systems? #14

eahenle opened this issue Feb 25, 2021 · 2 comments

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@eahenle
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eahenle commented Feb 25, 2021

Hello! Not exactly an issue per se, but wondering if it is feasible/desirable to add a wrapper for calling the qvoronoi function? Also wondering the same for point clouds with periodic boundary conditions. I am working on computations involving crystalline materials, and these two features would be of immense value.

@fverdugo
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Hi @eahenle! one can add new functionality sure. You are welcome to open a PR. One feature at a time please.

@dgleich
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dgleich commented Nov 23, 2022

Okay, so it looks like the we need to get code into https://github.com/JuliaPackaging/Yggdrasil/blob/1dd9453be12d0072fb008e8b4750cc27f9230de0/Q/QhullMiniWrapper/Wrapper/qhullwrapper.c to wrap the qhull behavior we want? Then we could wrap this in MiniQHull?

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