tightbinder.disorder.hard_spheres

hard_spheres(system, radius=0.1)

Routine to treat the given model as a model of hard spheres, meaning that any two atoms that are too close together (distance < 2*radius), are relocated so that (distance = 2*radius). This is intended to be used with amorphous models with a high degree of disorder, to avoid atoms getting too close together.

Parameters:

• system (System) – System to be treated as a model of hard spheres.

• radius (float) – Effective radius of the hard spheres. Has to be given in the units of the motif.

Return type:

System

Returns:

System with new atomic positions.