.clang-format
.gitignore
.licenserc.yaml
CMakeLists.txt
LICENSE
README.md
pyproject.toml
.github/workflows/merge.yaml
.github/workflows/nightly.yaml
.github/workflows/pull_request.yaml
.github/workflows/test_python_build.yaml
cmake/get_nwx_cmake.cmake
docs/Makefile
docs/README.md
docs/requirements.txt
docs/source/about_nwx.rst
docs/source/conf.py
docs/source/getting_started.rst
docs/source/index.rst
docs/source/assets/logo.png
docs/source/collaborator/advanced_pluginplay.rst
docs/source/collaborator/faqs.rst
docs/source/collaborator/index.rst
docs/source/collaborator/pluginplay_primer.rst
docs/source/installation/building.rst
docs/source/installation/index.rst
docs/source/module_api/index.rst
docs/source/running/index.rst
docs/source/running/running.rst
python/nwchemex/__init__.py
python/nwchemex/compute_energy.py
python/nwchemex/load_modules.py
python/nwchemex.egg-info/PKG-INFO
python/nwchemex.egg-info/SOURCES.txt
python/nwchemex.egg-info/dependency_links.txt
python/nwchemex.egg-info/requires.txt
python/nwchemex.egg-info/scm_file_list.json
python/nwchemex.egg-info/scm_version.json
python/nwchemex.egg-info/top_level.txt
tests/python/conftest.py
tests/python/unit_tests/test_compute_energy.py