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Seysen basis reduction (of real and reciprocal lattices simultaneously) #144

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brainandforce opened this issue Feb 10, 2023 · 0 comments
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@brainandforce
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For a number of operations, it'll be useful to transform the lattice vectors of a crystal basis to the smallest possible set of vectors - useful for measuring distances between atoms across unit cells. In general, I expect this won't be a big issue for unit cells, since a lot of them already consist of the shortest possible basis, but it can be useful for getting the correct metrics if that isn't the case.

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