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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.
The text was updated successfully, but these errors were encountered:
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.
The text was updated successfully, but these errors were encountered: