jax_md_mod.custom_energy.generic_repulsion_nonbond

jax_md_mod.custom_energy.generic_repulsion_nonbond#

generic_repulsion_nonbond(displacement_or_metric, pair_idxs, sigma=1.0, epsilon=1.0, exp=12.0)[source]#

Convenience wrapper to compute repulsive part of Lennard Jones energy of particles via connection idxs.

Parameters:
Return type:

Callable[[Array], Array]

Returns:

Pairwise nonbonded repulsion potential energy function.