CHANGELOG.md
LICENSE
MANIFEST.in
README.md
setup.py
docs/Makefile
docs/conf.py
docs/examples.rst
docs/index.rst
docs/installation.rst
docs/introduction.rst
docs/license.rst
docs/make.bat
docs/modules.rst
docs/operators_keywords.rst
docs/setup.rst
docs/tscode.calculators.rst
docs/tscode.rst
docs/usage.rst
tscode/TEST_NOTEBOOK.ipynb
tscode/__init__.py
tscode/__main__.py
tscode/algebra.py
tscode/ase_manipulations.py
tscode/atropisomer_module.py
tscode/automep.py
tscode/concurrent_test.py
tscode/dispy_test.py
tscode/docker.py
tscode/embedder.py
tscode/embedder_options.py
tscode/embeds.py
tscode/errors.py
tscode/graph_manipulations.py
tscode/hypermolecule_class.py
tscode/mep_relaxer.py
tscode/modify_settings.py
tscode/mprof.py
tscode/multiembed.py
tscode/nci.py
tscode/operators.py
tscode/optimization_methods.py
tscode/parameters.py
tscode/pka.py
tscode/profiler.py
tscode/pt.py
tscode/python_functions.py
tscode/quotes.json
tscode/quotes.py
tscode/reactive_atoms_classes.py
tscode/run.py
tscode/settings.py
tscode/solvents.py
tscode/tests.py
tscode/torsion_module.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
tscode/tests/C2F2H4.xyz
tscode/tests/C2H4.xyz
tscode/tests/CH3Cl.xyz
tscode/tests/HCOOH.xyz
tscode/tests/HCOOOH.xyz
tscode/tests/chelotropic.txt
tscode/tests/cyclical.txt
tscode/tests/dihedral.txt
tscode/tests/string.txt
tscode/tests/trimolecular.txt