LICENSE
README.md
pyproject.toml
catcert/__init__.py
catcert/cli.py
catcert.egg-info/PKG-INFO
catcert.egg-info/SOURCES.txt
catcert.egg-info/dependency_links.txt
catcert.egg-info/entry_points.txt
catcert.egg-info/requires.txt
catcert.egg-info/top_level.txt
catcert/core/__init__.py
catcert/core/adsorption_energy.py
catcert/core/dipole_correction.py
catcert/core/scoring.py
catcert/core/surface_energy.py
catcert/core/vacuum_potential.py
catcert/parsers/__init__.py
catcert/parsers/generic_slab_csv.py
catcert/parsers/qe_dispersion.py
catcert/parsers/qe_parser.py
catcert/parsers/vasp_parser.py
catcert/reporters/__init__.py
catcert/reporters/html_report.py
catcert/reporters/manuscript_prep.py
catcert/reporters/plot_generator.py
tests/test_adsorption_energy.py
tests/test_dipole_correction.py
tests/test_parsers.py
tests/test_qe_real_outputs.py
tests/test_scoring.py
tests/test_surface_energy.py
tests/test_vacuum_potential.py