jax_md_mod.custom_energy.lennard_jones_nonbond

jax_md_mod.custom_energy.lennard_jones_nonbond#

lennard_jones_nonbond(displacement_or_metric, pair_idxs, sigma=1.0, epsilon=1.0)[source]#

Convenience wrapper to compute lennard jones energy of nonbonded particles.

Parameters:
Return type:

Callable[[Array], Array]

Returns:

Pairwise nonbonded repulsion potential energy function.