LICENSE
README.md
pyproject.toml
setup.cfg
src/sith/__init__.py
src/sith/analysis/__init__.py
src/sith/analysis/barriers.py
src/sith/analysis/forcefield_comparison.py
src/sith/analysis/integration.py
src/sith/analysis/jedi_comparison.py
src/sith/analysis/sith_decomposition.py
src/sith/builders/__init__.py
src/sith/builders/peptides.py
src/sith/builders/polymers.py
src/sith/core/__init__.py
src/sith/core/coordinates.py
src/sith/core/degrees_of_freedom.py
src/sith/core/molecule.py
src/sith/core/trajectory.py
src/sith/io/__init__.py
src/sith/io/formats.py
src/sith/io/readers.py
src/sith/io/writers.py
src/sith/qm/__init__.py
src/sith/qm/base.py
src/sith/qm/gaussian.py
src/sith/qm/parsers.py
src/sith/qm/psi4.py
src/sith/simulation/__init__.py
src/sith/simulation/cogef.py
src/sith/simulation/constraints.py
src/sith/simulation/stretching.py
src/sith/utils/__init__.py
src/sith/utils/constants.py
src/sith/utils/math_utils.py
src/sith/utils/validators.py
src/sith/visualization/__init__.py
src/sith/visualization/molecular.py
src/sith/visualization/plots.py
src/sith_chem.egg-info/PKG-INFO
src/sith_chem.egg-info/SOURCES.txt
src/sith_chem.egg-info/dependency_links.txt
src/sith_chem.egg-info/requires.txt
src/sith_chem.egg-info/top_level.txt