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Cell translations in x, y, z according to a matrix

Open blokhin opened this issue 2 months ago • 0 comments

Periodic cell translations are normally done according to a matrix e.g. [[1, 0, 0], [0, 1, 0], [0, 0, 2]] expands a cell twice into vertical direction. However this may expand the number of atoms drastically for bigger cells, so we have to define a reasonable limit.

blokhin avatar Mar 30 '24 19:03 blokhin