torch_sim.models.lennard_jones¶

Lennard-Jones 12-6 potential model.

Thin wrapper around PairPotentialModel with the lennard_jones_pair() energy function baked in.

Example:

model = LennardJonesModel(sigma=3.405, epsilon=0.0104, cutoff=8.5)
results = model(sim_state)

Functions

`lennard_jones_pair`	Lennard-Jones 12-6 pair energy.
`lennard_jones_pair_force`	Lennard-Jones 12-6 pair force (negative gradient of energy).

Classes

`LennardJonesModel`	Lennard-Jones 12-6 pair potential model.
`UnbatchedLennardJonesModel`	alias of `LennardJonesModel`