simphony / simphony-metadata

[LEGACY] This repository contains the metadata definitions used in SimPhoNy project.
BSD 2-Clause "Simplified" License
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LATTICE_VECTORS should describe if the order is by row or by column #95

Open stefanoborini opened 7 years ago

stefanoborini commented 7 years ago

I've seen plenty of circumstances where lattice vectors as matrix 3x3 enter into the ambiguity of being per row or per columns. The matrix is not always symmetrical so this matters. It is clearly not possible to enforce it programmatically, but it would be nice if this information were available in the definition.