matscipy.angle_distribution

Compute a bond angle distributions.

Functions

angle_distribution(i, j, dr, nbins, *args)

Compute a bond angle distribution from a neighbour list.
matscipy.angle_distribution.angle_distribution(i, j, dr, nbins, *args)

Compute a bond angle distribution from a neighbour list.

Parameters:

  • i (array_like) – Neighbour list, including list of distance vectors.

  • j (array_like) – Neighbour list, including list of distance vectors.

  • dr (array_like) – Neighbour list, including list of distance vectors.

  • nbins (int) – Number of bins for bond angle histogram.

  • cutoff (float, optional) – Bond length cutoff, i.e. consider only bonds shorter than this length.