trainers.Difftre.__init__#
- Difftre.__init__(init_params, optimizer, reweight_ratio=1.0, adaptive_step_size_threshold=0.0001, sim_batch_size=1, energy_fn_template=None, full_checkpoint=False, convergence_criterion='window_median', checkpoint_path='Checkpoints', log_dir=None)[source]#
A reference energy_fn_template can be provided, but is not mandatory due to the dependence of the template on the box via the displacement function.