spheropack.rejection_free.LennardJones

spheropack.rejection_free.LennardJones(epsilon=1.0, sigma=1.0, cutoff=2.5)

Truncated and shifted Lennard-Jones potential, \(4\epsilon[(\sigma/r)^{12} - (\sigma/r)^6] - U_\mathrm{LJ}(r_c)\) for \(r < r_c\).

Parameters:

• epsilon (float)

• sigma (float)

• cutoff (float)

Return type:

PairPotential