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/C2F2H4_plt.pickle
tests/C2F2H4_plt.svg
tests/C2F2H4_relaxed_scan.xyz
tests/C2H4.xyz
tests/CH3Cl.xyz
tests/HCOOH.xyz
tests/HCOOOH.xyz
tests/TSCoDe_Aug_10_18-06.log
tests/TSCoDe_Aug_10_18-09.log
tests/TSCoDe_Aug_10_18-17.log
tests/TSCoDe_TS_guesses_chelotropic.vmd
tests/TSCoDe_TS_guesses_chelotropic.xyz
tests/TSCoDe_TS_guesses_cyclical.vmd
tests/TSCoDe_TS_guesses_cyclical.xyz
tests/TSCoDe_TS_guesses_dihedral.vmd
tests/TSCoDe_TS_guesses_dihedral.xyz
tests/TSCoDe_TS_guesses_string.vmd
tests/TSCoDe_TS_guesses_string.xyz
tests/TSCoDe_TS_guesses_trimolecular.vmd
tests/TSCoDe_TS_guesses_trimolecular.xyz
tests/TSCoDe_chelotropic.log
tests/TSCoDe_cyclical.log
tests/TSCoDe_dihedral.log
tests/TSCoDe_string.log
tests/TSCoDe_trimolecular.log
tests/chelotropic.txt
tests/cyclical.txt
tests/dihedral.txt
tests/string.txt
tests/trimolecular.txt
tscode/atropisomer_module.py
tscode/embeds.py
tscode/hypermolecule_class.py
tscode/modify_settings.py
tscode/operators.py
tscode/optimization_methods.py
tscode/parameters.py
tscode/python_functions.py
tscode/reactive_atoms_classes.py
tscode/settings.py
tscode/tests.py
tscode/tscode.py
tscode/utils.py
tscode/tscode.egg-info/PKG-INFO
tscode/tscode.egg-info/SOURCES.txt
tscode/tscode.egg-info/dependency_links.txt
tscode/tscode.egg-info/requires.txt
tscode/tscode.egg-info/top_level.txt