API reference

This section gives an overview of the API for atomate2.

abinit	Module for ABINIT workflows.
aims	FHI-aims interface for atomate2.
amset	Module for running AMSET calculations.
cli	Module containing the atomate2 command-line interface.
common	Tools and functions that are common across all codes.
cp2k	Module for cp2k workflows.
forcefields	Tools and functions common to all forcefields.
lobster	Module containing flows and jobs for lobster workflows.
qchem	Module for QChem workflows.
settings	Settings for atomate2.
utils	Common utility functions for atomate2.
vasp	Module for VASP workflows.