CHANGELOG.md
LICENSE
MANIFEST.in
README.md
setup.py
docs/Makefile
docs/conf.py
docs/index.rst
docs/installation.rst
docs/introduction.rst
docs/keywords.rst
docs/license.rst
docs/make.bat
docs/usage.rst
tests/C2F2H4.xyz
tests/C2H4.xyz
tests/CH3Cl.xyz
tests/HCOOH.xyz
tests/HCOOOH.xyz
tests/chelotropic.txt
tests/cyclical.txt
tests/dihedral.txt
tests/string.txt
tests/trimolecular.txt
tscode/__init__.py
tscode/__main__.py
tscode/ase_manipulations.py
tscode/atropisomer_module.py
tscode/clustered_csearch.py
tscode/docker.py
tscode/docker_options.py
tscode/embeds.py
tscode/errors.py
tscode/fast_algebra.py
tscode/hypermolecule_class.py
tscode/modify_settings.py
tscode/nci.py
tscode/operators.py
tscode/optimization_methods.py
tscode/parameters.py
tscode/profiler.py
tscode/python_functions.py
tscode/reactive_atoms_classes.py
tscode/run.py
tscode/settings.py
tscode/solvents.py
tscode/test.ipynb
tscode/tests.py
tscode/utils.py
tscode.egg-info/PKG-INFO
tscode.egg-info/SOURCES.txt
tscode.egg-info/dependency_links.txt
tscode.egg-info/requires.txt
tscode.egg-info/top_level.txt
tscode/calculators/__init__.py
tscode/calculators/_gaussian.py
tscode/calculators/_mopac.py
tscode/calculators/_openbabel.py
tscode/calculators/_orca.py
tscode/calculators/_xtb.py