.gitignore
README.rst
setup.py
.circleci/config.yml
docker/Dockerfile
docker/celery/Dockerfile
docker/celery/celery.env
docker/celery/config.json
examples/openchemistry.ipynb
examples/openchemistry_test.ipynb
examples/openchemistry_test.py
openchemistry/__init__.py
openchemistry/notebook.py
openchemistry/utils.py
openchemistry.egg-info/PKG-INFO
openchemistry.egg-info/SOURCES.txt
openchemistry.egg-info/dependency_links.txt
openchemistry.egg-info/requires.txt
openchemistry.egg-info/top_level.txt
openchemistry/io/__init__.py
openchemistry/io/base.py
openchemistry/io/nwchemJson.py
openchemistry/io/psi4.py
openchemistry/io/utils.py
taskflows/taskflows/__init__.py
taskflows/taskflows/chemml/__init__.py
taskflows/taskflows/nwchem/__init__.py
taskflows/taskflows/nwchem/oc.nw.j2
taskflows/taskflows/psi4/__init__.py
taskflows/taskflows/psi4/oc.psi4.j2
taskflows/taskflows/utils/__init__.py
taskflows/taskflows/utils/avogadro.py