• Gregor Michalicek's avatar
    Increased efficiency of spg_gen · e0da273a
    Gregor Michalicek authored
    spg_gen became a limiting code part for large unit cells as
    parts of it scaled with the number_of_atoms^4. I rewrote
    certain parts of it in a more efficient way. Better scaling
    I hope I didn't damage anything.
spg_gen.f 19.5 KB