generate_energy_convergence_fn¶

torch_sim.runners.generate_energy_convergence_fn(energy_tol=1e-3)[source]¶

Generate an energy-based convergence function for the convergence_fn argument of the optimize function.

Parameters:: energy_tol (float) – Energy tolerance for convergence
Returns:: Convergence function that takes a state and last energy and returns a batchwise boolean function
Return type:: Callable