matscipy.rings

Functions

ring_statistics(a, cutoff[, maxlength])

Compute number of shortest path rings in sample.
matscipy.rings.ring_statistics(a, cutoff, maxlength=-1)

Compute number of shortest path rings in sample. See: D.S. Franzblau, Phys. Rev. B 44, 4925 (1991)

Parameters:

  • a (ase.Atoms) – Atomic configuration.

  • cutoff (float) – Cutoff for neighbor counting.

  • maxlength (float, optional) – Maximum ring length. Search for rings will stop at this length. This is useful to speed up calculations for large systems.

Returns:

ringstat – Array with number of shortest path rings.

Return type:

array