LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
versioneer.py
qcengine/__init__.py
qcengine/_version.py
qcengine/cli.py
qcengine/compute.py
qcengine/config.py
qcengine/stock_mols.py
qcengine/testing.py
qcengine/units.py
qcengine/util.py
qcengine.egg-info/PKG-INFO
qcengine.egg-info/SOURCES.txt
qcengine.egg-info/dependency_links.txt
qcengine.egg-info/entry_points.txt
qcengine.egg-info/not-zip-safe
qcengine.egg-info/requires.txt
qcengine.egg-info/top_level.txt
qcengine/programs/__init__.py
qcengine/programs/psi4.py
qcengine/programs/rdkit.py
qcengine/programs/torchani.py
qcengine/tests/__init__.py
qcengine/tests/addons.py
qcengine/tests/test_compute.py
qcengine/tests/test_config.py
qcengine/tests/test_procedures.py