Tersoff Simplified

Simple version of the Tersoff potential introduced in (Tersoff, 1988). We take the form which does not consider angles between pairs of particles, instead it diminishes the force between particles as a particle gets more neighbours.

Adjusting neighbour calculation is currently not possible via config, but will be added in the future.

Example usage

particles:
  ligand:
    color: ffffff
    radius: 1.5
interactions:
  tersoff_simple:
    ligand-ligand: { beta: 0.33675, n: 22.956, A: 3264.7, B: 95.373, lambda1: 3.2394, lambda2: 1.3258 }