core-level-spec-tools

Installation

Usage, installation, and dependency management is automated using poetry. To setup the virtual environment with dependencies, execute

poetry install

after cloning the repository. Then to build the project,

poetry build

Finally, to make scripts available system-wide, from the root directory of the project,

pip install .

This is currently not available on PyPi, however this may change in the future

Usage

NEXAFS

Currently, the only tools that have been interfaced with poetry are nexafs and molpdos, however other scripts in the repository are still able to be used. To view usage options for nexafs,

nexafs --help

molpdos currently does not take any command line arguments, so any variables need to be changed within the script itself, however this is likely to change in the future. More extensive documentation will also be written at a later date on usage of these tools.