Python port of the CLEED code written by Georg Held.
The easiest way to install the package is via pip:
pip install cleedpyThe 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.yamlThe documentation is available at the Wiki page of the repository.
MIT