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 run LEED calculations. Those include: rfactor, search and leed sub-programs. Each program can be called with the cleedpy- prefix, e.g. cleedpy-leed:

cleedpy-leed -i input.yml -e experiment.txt -o search.out -p PHASE

To learn more about the options of each program, use the -h flag:

cleedpy-leed --help

For example runs please see the examples folder.

Documentation

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

License

MIT