MANIFEST.in
README.md
setup.json
setup.py
BigDFT/AiidaCalculator.py
BigDFT/Atom.py
BigDFT/BZ.py
BigDFT/BabelInterop.py
BigDFT/Calculators.py
BigDFT/Datasets.py
BigDFT/DoS.py
BigDFT/Fragments.py
BigDFT/InputActions.py
BigDFT/Inputfiles.py
BigDFT/LRTDDFT.py
BigDFT/Logfiles.py
BigDFT/PostProcessing.py
BigDFT/Spillage.py
BigDFT/Visualization.py
BigDFT/XYZ.py
BigDFT/__init__.py
BigDFT/wahba.py
BigDFT/Database/Molecules.py
BigDFT/Database/__init__.py
BigDFT/scripts/DeltaTest.py
BigDFT/scripts/InputGenerator.py
BigDFT/scripts/__init__.py
aiida_bigdft/__init__.py
aiida_bigdft/cli.py
aiida_bigdft/helpers.py
aiida_bigdft/parsers.py
aiida_bigdft.egg-info/PKG-INFO
aiida_bigdft.egg-info/SOURCES.txt
aiida_bigdft.egg-info/dependency_links.txt
aiida_bigdft.egg-info/entry_points.txt
aiida_bigdft.egg-info/requires.txt
aiida_bigdft.egg-info/top_level.txt
aiida_bigdft/calculations/__init__.py
aiida_bigdft/calculations/bigdft.py
aiida_bigdft/calculations/postscript.py
aiida_bigdft/data/__init__.py
aiida_bigdft/tests/__init__.py
aiida_bigdft/tests/test_calculations.py
aiida_bigdft/tests/test_cli.py
aiida_bigdft/tests/input_files/__init__.py
aiida_bigdft/workflows/__init__.py
aiida_bigdft/workflows/base.py
aiida_bigdft/workflows/relax.py
futile/Figures.py
futile/Inputvars.py
futile/Time.py
futile/Utils.py
futile/YamlArgparse.py
futile/YamlIO.py
futile/__init__.py