matscipy.io.metis

Functions

save_metis(fn, a, i, j)

Save neighbour list as the METIS graph file format.
matscipy.io.metis.save_metis(fn, a, i, j)

Save neighbour list as the METIS graph file format.

See here: http://glaros.dtc.umn.edu/gkhome/views/metis

Parameters:

  • fn (str) – File name.

  • a (Atoms) – Atoms object.

  • i (array_like) – Neighbour list.

  • j (array_like) – Neighbour list.