The current get_orthogonal_grain returns a pymatgen Structure object instead of an aimsgb Grain object. Consequently, build_gb() does not work when using e.g. delete_layer=..., because this is only an attribute of a Grain and not a Structure (the error would then occur here).
I renamed the get into a set, but this can of course be reversed.
The current
get_orthogonal_grainreturns a pymatgen Structure object instead of an aimsgb Grain object. Consequently,build_gb()does not work when using e.g.delete_layer=..., because this is only an attribute of a Grain and not a Structure (the error would then occur here).I renamed the get into a set, but this can of course be reversed.