LICENSE
README.md
setup.py
agat/__init__.py
agat/__main__.py
agat/default_parameters.py
agat/main.py
agat.egg-info/PKG-INFO
agat.egg-info/SOURCES.txt
agat.egg-info/dependency_links.txt
agat.egg-info/requires.txt
agat.egg-info/top_level.txt
agat/app/__init__.py
agat/app/app.py
agat/app/calculators.py
agat/app/ensembles.py
agat/app/on_the_fly_calculator_not_used.py
agat/app/optimizers.py
agat/app/cata/__init__.py
agat/app/cata/find_adsorption_site.py
agat/app/cata/generate_adsorption_sites.py
agat/app/cata/high_throughput_dft_calculation.py
agat/app/cata/high_throughput_predict.py
agat/app/cata/increase_vacuum.py
agat/app/cata/volcano_2e.py
agat/app/cata/volcano_plot.py
agat/data/PymatgenStructureAnalyzer.py
agat/data/__init__.py
agat/data/atomic_feature.py
agat/data/build_dataset.py
agat/data/build_graph.py
agat/data/dataset.py
agat/data/generate_database.py
agat/data/load_dataset.py
agat/lib/__init__.py
agat/lib/adsorbate_poscar.py
agat/lib/exceptions.py
agat/lib/file_lib.py
agat/lib/high_throughput_lib.py
agat/lib/incar_tag.py
agat/lib/model_lib.py
agat/model/__init__.py
agat/model/fit.py
agat/model/layer.py
agat/model/model.py
test/test.py
test/test_stress_model.py