LICENSE.rst
MANIFEST.in
README.rst
pyproject.toml
setup.cfg
setup.py
chemtools/__init__.py
chemtools/basisopt.py
chemtools/basisparse.py
chemtools/basisset.py
chemtools/cbs.py
chemtools/cli.py
chemtools/integrals.py
chemtools/molecule.py
chemtools/parsetools.py
chemtools/submitgamess.py
chemtools/submitmolpro.py
chemtools.egg-info/PKG-INFO
chemtools.egg-info/SOURCES.txt
chemtools.egg-info/dependency_links.txt
chemtools.egg-info/entry_points.txt
chemtools.egg-info/requires.txt
chemtools.egg-info/top_level.txt
chemtools/calculators/__init__.py
chemtools/calculators/calculator.py
chemtools/calculators/dalton.py
chemtools/calculators/dmft.py
chemtools/calculators/gamessorbitals.py
chemtools/calculators/gamessreader.py
chemtools/calculators/gamessus.py
chemtools/calculators/molpro.py
chemtools/calculators/psi4.py
chemtools/pescan/__init__.py
chemtools/pescan/controller.py
chemtools/pescan/model.py
doc/Makefile
doc/source/api.rst
doc/source/conf.py
doc/source/index.rst
doc/source/install.rst
doc/source/tutorial.rst
doc/source/notebooks/BasisOpt_tutorial.ipynb
doc/source/notebooks/BasisSet_tutorial.ipynb
doc/source/notebooks/GamessUS_tutorial.ipynb
doc/source/notebooks/Molpro_tutorial.ipynb