cleedpy

Python port of the CLEED code written by Georg Held.

Installation

The easiest way to install the package is via pip:

pip install cleedpy

Usage

The cleedpy package provides a command line interface (CLI) to the tools to manage LEED calculations. Those include: rfactor, search and leed programs. Each program can be called with the cleedpy- prefix, e.g. cleedpy-rfactor:

cleedpy-rfactor --config config.yaml

Documentation

The documentation is available at the Wiki page of the repository.

License

MIT