Tasks ===== .. automodule:: qm_atlas.tasks :members: :undoc-members: :show-inheritance: .. automodule:: qm_atlas.tasks.conformer_generation :members: :undoc-members: .. automodule:: qm_atlas.tasks.calculate_properties :members: :undoc-members: .. automodule:: qm_atlas.tasks.optimize :members: :undoc-members: .. automodule:: qm_atlas.tasks.cosmo_properties :members: :undoc-members: .. automodule:: qm_atlas.tasks.tautomer_generation :members: :undoc-members: .. automodule:: qm_atlas.tasks.protonation :members: :undoc-members: .. automodule:: qm_atlas.tasks.boltzmann :members: :undoc-members: .. automodule:: qm_atlas.tasks.common :members: :undoc-members: .. automodule:: qm_atlas.tasks.utils :members: :undoc-members: