torch_sim.models.morse¶

Morse potential model.

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

Example:

model = MorseModel(sigma=2.55, epsilon=0.436, alpha=1.359, cutoff=6.0)
results = model(sim_state)

Functions

`morse_pair`	Morse pair energy.
`morse_pair_force`	Morse pair force (negative gradient of energy).

Classes

Morse pair potential model.