LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.py
TCutility/__init__.py
TCutility/atom_data.py
TCutility/constants.py
TCutility/formula.py
TCutility/geometry.py
TCutility/log.py
TCutility/molecule.py
TCutility/report.py
TCutility.egg-info/PKG-INFO
TCutility.egg-info/SOURCES.txt
TCutility.egg-info/dependency_links.txt
TCutility.egg-info/top_level.txt
TCutility/analysis/ts_vibration.py
TCutility/atom_data/color.txt
TCutility/atom_data/name.txt
TCutility/atom_data/radius.txt
TCutility/atom_data/symbol.txt
TCutility/results/__init__.py
TCutility/results/adf.py
TCutility/results/ams.py
TCutility/results/cache.py
TCutility/results/dftb.py
TCutility/results/input_blocks
TCutility/results/orca.py
TCutility/results/result.py
test/test_atom_data.py
test/test_ensure_2d.py
test/test_formula.py
test/test_geometry.py
test/test_input_reader.py
test/test_molecules.py
test/test_result_class.py
test/test_results.py
test/test_results_orca.py
test/test_vibrational_ts_analysis.py