pretraining

This is summary documentation for hippynn.pretraining module. Click here for full documentation.

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Things to do before training, i.e. initialization of network and diagnostics.

Functions

calculate_max_system_force(array_dict, ...)	Calculates the maximum force magnitude in each system in array_dict.
calculate_min_dists(array_dict, ...[, ...])	Calculates the minimum distance found in each system in array_dict.
hierarchical_energy_initialization(energy_module)	Computes values for the non-interacting energy using the training data.
set_e0_values(*args, **kwargs)