setup.py
stko/__init__.py
stko/base_calculator.py
stko.egg-info/PKG-INFO
stko.egg-info/SOURCES.txt
stko.egg-info/dependency_links.txt
stko.egg-info/top_level.txt
stko/calculators/__init__.py
stko/calculators/rdkit_calculators.py
stko/calculators/xtb_calculators.py
stko/molecular/__init__.py
stko/molecular/periodic/__init__.py
stko/molecular/periodic/cell.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/optimizers/__init__.py
tests/optimizers/test_fake_opt.py
tests/optimizers/test_gulp.py
tests/optimizers/utilities.py
tests/optimizers/macromodel_optimizers/__init__.py
tests/optimizers/macromodel_optimizers/test_macromodel.py