torch_sim.models.soft_sphere¶

Soft sphere potential model.

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

The soft sphere potential has the form:

V(r) = ε/α * (1 - r/σ)^α for r < σ, else 0

Example:

model = SoftSphereModel(sigma=1.0, epsilon=1.0, alpha=2.0)
results = model(sim_state)

# For multiple species with different interaction parameters
multi_model = SoftSphereMultiModel(
    atomic_numbers=torch.tensor([18, 36]),
    sigma_matrix=torch.tensor([[1.0, 0.8], [0.8, 0.6]]),
    epsilon_matrix=torch.tensor([[1.0, 0.5], [0.5, 2.0]]),
)
results = multi_model(sim_state)

Functions

`soft_sphere_pair`	Soft-sphere repulsive pair energy (zero beyond sigma).
`soft_sphere_pair_force`	Soft-sphere pair force (negative gradient of energy).

Classes

`MultiSoftSpherePairFn`	Species-dependent soft-sphere pair energy function.
`SoftSphereModel`	Soft-sphere repulsive pair potential model.
`SoftSphereMultiModel`	Multi-species soft-sphere potential model.