uf3.data.io.cache_data

cache_data(data_coordinator: uf3.data.io.DataCoordinator, filename: str, energy_key: str = 'energy', serial: bool = False)

Save dataframe from data_coordinator as ase Database.

Parameters

• data_coordinator (DataCoordinator) –

• filename (str) –

• energy_key (str) – column name for energies, default “energy”.

• serial (bool) –