particle_life_pair_force¶

torch_sim.models.particle_life.particle_life_pair_force(dr, zi, zj, A=1.0, beta=0.3, sigma=1.0)[source]¶

Asymmetric particle-life scalar force magnitude.

This is a force function (not an energy), intended for use with PairForcesModel.

Parameters:

dr (Tensor) – Pairwise distances, shape [n_pairs].
zi (Tensor) – Atomic numbers of first atoms (unused).
zj (Tensor) – Atomic numbers of second atoms (unused).
A (Tensor | float) – Interaction amplitude. Defaults to 1.0.
beta (Tensor | float) – Inner radius. Defaults to 0.3.
sigma (Tensor | float) – Outer radius / cutoff. Defaults to 1.0.

Returns:

Scalar force magnitudes, shape [n_pairs].

Return type: