Closed danieleongari closed 3 years ago
Use manage_crystal -rotaxis to rotate the COF before the submission: by convention we want the xy plane aligned to the layer of 2D COFs. Allow the user to check the visual result, re-loading the new CIF
manage_crystal -rotaxis
Added in: https://github.com/lsmo-epfl/curated-cofs-submission/pull/22
Use
manage_crystal -rotaxis
to rotate the COF before the submission: by convention we want the xy plane aligned to the layer of 2D COFs. Allow the user to check the visual result, re-loading the new CIF