jax_md_mod.custom_energy.truncated_lennard_jones

jax_md_mod.custom_energy.truncated_lennard_jones#

truncated_lennard_jones(dr, sigma=1.0, epsilon=1.0, exp=12.0, **unused_dynamic_kwargs)[source]#

Lennard Jones interaction truncated and shifted at the minimum.

Parameters:
  • dr (Array) – An ndarray of pairwise distances between particles.

  • sigma (Array) – Repulsion length scale

  • epsilon (Array) – Interaction energy scale

  • exp (Array) – Exponent specifying interaction stiffness

Return type:

Array

Returns:

Array of energies