AUTHORS.rst
CONTRIBUTING.rst
HISTORY.rst
LICENSE
MANIFEST.in
README.rst
requirements.txt
requirements_dev.txt
requirements_install.txt
setup.cfg
setup.py
versioneer.py
docs/Makefile
docs/conf.py
docs/index.rst
docs/make.bat
docs/_static/molssi_main_logo.png
docs/_static/molssi_main_logo_inverted_white.png
docs/_static/molssi_square.png
docs/api/index.rst
docs/developer_guide/contributing.rst
docs/developer_guide/index.rst
docs/developer_guide/installation.rst
docs/developer_guide/usage.rst
docs/getting_started/index.rst
docs/getting_started/images/flowchart.png
docs/user_guide/authors.rst
docs/user_guide/control.rst
docs/user_guide/history.rst
docs/user_guide/index.rst
docs/user_guide/introduction.rst
docs/user_guide/output.rst
docs/user_guide/images/Newman_projection_butane.png
docs/user_guide/images/Water_molecule_dimensions.svg.png
docs/user_guide/images/geometry.png
docs/user_guide/images/wilson-angle.png
geometry_analysis_step/__init__.py
geometry_analysis_step/_version.py
geometry_analysis_step/find_mopac.py
geometry_analysis_step/geometry_analysis.py
geometry_analysis_step/geometry_analysis_parameters.py
geometry_analysis_step/geometry_analysis_step.py
geometry_analysis_step/metadata.py
geometry_analysis_step/tk_geometry_analysis.py
geometry_analysis_step.egg-info/PKG-INFO
geometry_analysis_step.egg-info/SOURCES.txt
geometry_analysis_step.egg-info/dependency_links.txt
geometry_analysis_step.egg-info/entry_points.txt
geometry_analysis_step.egg-info/requires.txt
geometry_analysis_step.egg-info/top_level.txt
geometry_analysis_step.egg-info/zip-safe
geometry_analysis_step/data/properties.csv
geometry_analysis_step/data/references.bib
tests/__init__.py
tests/test_geometry_analysis_step.py