autoplex.auto.phonons.flows

Flows to perform automatic data generation, fitting, and benchmarking of ML potentials.

Classes

CompleteDFTvsMLBenchmarkWorkflow	Maker to construct a DFT (VASP) based dataset, composed of the following two configuration types.
DFTSupercellSettingsMaker	Maker to test the DFT and supercell settings.
TYPE_CHECKING	bool(x) -> bool