LICENSE
setup.py
stko/__init__.py
stko.egg-info/PKG-INFO
stko.egg-info/SOURCES.txt
stko.egg-info/dependency_links.txt
stko.egg-info/requires.txt
stko.egg-info/top_level.txt
stko/calculators/__init__.py
stko/calculators/calculators.py
stko/calculators/orca_calculators.py
stko/calculators/rdkit_calculators.py
stko/calculators/shape_calculators.py
stko/calculators/torsion_calculators.py
stko/calculators/xtb_calculators.py
stko/calculators/extractors/__init__.py
stko/calculators/extractors/extractor.py
stko/calculators/extractors/orca_extractor.py
stko/calculators/extractors/xtb_extractor.py
stko/calculators/results/__init__.py
stko/calculators/results/energy_results.py
stko/calculators/results/orca_results.py
stko/calculators/results/results.py
stko/calculators/results/shape_results.py
stko/calculators/results/torsion_results.py
stko/calculators/results/xtb_results.py
stko/molecular/__init__.py
stko/molecular/conversion/__init__.py
stko/molecular/conversion/z_matrix.py
stko/molecular/molecule_splitter/__init__.py
stko/molecular/molecule_splitter/molecule_splitter.py
stko/molecular/networkx/__init__.py
stko/molecular/networkx/network.py
stko/molecular/periodic/__init__.py
stko/molecular/periodic/unitcell.py
stko/molecular/periodic/utilities.py
stko/molecular/topology_extractor/__init__.py
stko/molecular/topology_extractor/topology_extractor.py
stko/molecular/topology_extractor/topology_info.py
stko/molecular/torsion/__init__.py
stko/molecular/torsion/torsion.py
stko/molecular/torsion/torsion_info.py
stko/optimizers/__init__.py
stko/optimizers/collapser.py
stko/optimizers/gulp.py
stko/optimizers/macromodel.py
stko/optimizers/optimizers.py
stko/optimizers/rdkit.py
stko/optimizers/xtb.py
stko/utilities/__init__.py
stko/utilities/utilities.py
tests/__init__.py
tests/conftest.py
tests/molecular/__init__.py
tests/molecular/z_matrix/__init__.py
tests/molecular/z_matrix/case_data.py
tests/molecular/z_matrix/conftest.py
tests/molecular/z_matrix/test_zmatrix.py
tests/optimizers/__init__.py
tests/optimizers/conftest.py
tests/optimizers/test_gulp.py
tests/optimizers/test_optimizers.py
tests/optimizers/test_rdkit_optimizers.py
tests/optimizers/test_uff_assign_ff.py
tests/optimizers/utilities.py
tests/optimizers/macromodel_optimizers/__init__.py
tests/optimizers/macromodel_optimizers/test_macromodel.py