metadatabase

This is summary documentation for hippynn.databases.metadatabase module. Click here for full documentation.

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MetaDatabase

Parses a dictionary of arrays (e.g. from a Database) to extract species, positions, forces, and other relevant data, organizing them into structured metadata. Calculates metrics such as force magnitudes, pairwise atomic distances, and simulation box densities to facilitate data searching and visualization.

Classes

MetaDatabase(arr_dict[, species_key, ...])

Parse a dictionary of arrays and generate a metadata representation.