SNAPJson module

Full Documentation for hippynn.databases.SNAPJson module. Click here for a summary page.

Load database from SNAP format.

class SNAPDirectoryDatabase(directory, inputs, targets, *args, files=None, depth=1, transpose_cell=True, allow_unfound=False, quiet=False, n_comments=1, **kwargs)[source]

Bases: Database, Restartable

extract_snap_file(file)[source]

filter_arrays(arr_dict, allow_unfound=False, quiet=False)[source]

load_arrays(allow_unfound=False, quiet=False)[source]

process_configs(configs, n_atoms_max)[source]