.gitlab-ci.yml
LICENSE
README.md
requirements.txt
setup.py
table_of_adsorption_sites.pdf
acat/.gitkeep
acat/__init__.py
acat/adsorbate_coverage.py
acat/adsorption_sites.py
acat/labels.py
acat/settings.py
acat/utilities.py
acat.egg-info/PKG-INFO
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docs/.gitkeep
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examples/.gitkeep
examples/prepare_sites.py
images/.gitkeep
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tests/water_bulk.xyz