generate_force_convergence_fn

torch_sim.runners.generate_force_convergence_fn(force_tol=1e-1)[source]

Generate a force-based convergence function for the convergence_fn argument of the optimize function.

Parameters:

force_tol (float) – Force tolerance for convergence

Returns:

Convergence function that takes a state and last energy and returns a batchwise boolean function

Return type:

Callable