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Project description
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
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