Crystal structure

[Sofia-Y]

Hi @rquey !

I appreciate your quick responses and presence on this platform.

I have another simple question: I know I can specify the crystal symmetry using different descriptors provided in the documentation. However, I was wondering if Neper can also specify the crystal structure (FCC, BCC, HCP)?

Thanks in advance.

[rquey]

Neper does not take this information because it wouldn't do anything about it right now. It needs the crystal symmetry to compute disorientations, but no more.