API Reference

This section provides detailed, auto-generated documentation for the dftio Python API. Use this reference to understand the internal components, data structures, and parser implementations.

The API is organized into several key modules:

• I/O and Parsers (dftio.io): The core parsing engine, including the abstract base parser and specific implementations for each supported DFT code.

• Data Structures (dftio.data): The internal data containers used to store and manage atomic structures and calculation results.

For details on how to use these components, please refer to the pages linked above.