scine\_puffin.jobs ================== .. automodule:: scine_puffin.jobs .. rubric:: Modules .. autosummary:: :toctree: :recursive: scine_puffin.jobs.conformers scine_puffin.jobs.gaussian_charge_model_5 scine_puffin.jobs.graph scine_puffin.jobs.kinetx_kinetic_modeling scine_puffin.jobs.orca_geometry_optimization scine_puffin.jobs.rms_kinetic_modeling scine_puffin.jobs.scine_afir scine_puffin.jobs.scine_bond_orders scine_puffin.jobs.scine_bspline_optimization scine_puffin.jobs.scine_conceptual_dft scine_puffin.jobs.scine_dissociation_cut scine_puffin.jobs.scine_dissociation_cut_with_optimization scine_puffin.jobs.scine_geometry_optimization scine_puffin.jobs.scine_geometry_validation scine_puffin.jobs.scine_hessian scine_puffin.jobs.scine_irc_scan scine_puffin.jobs.scine_qm_region_selection scine_puffin.jobs.scine_react_complex_afir scine_puffin.jobs.scine_react_complex_nt scine_puffin.jobs.scine_react_complex_nt2 scine_puffin.jobs.scine_react_ts_guess scine_puffin.jobs.scine_single_point scine_puffin.jobs.scine_ts_optimization scine_puffin.jobs.sleep scine_puffin.jobs.swoose_qmmm_forces scine_puffin.jobs.templates scine_puffin.jobs.turbomole_bond_orders scine_puffin.jobs.turbomole_geometry_optimization scine_puffin.jobs.turbomole_hessian scine_puffin.jobs.turbomole_single_point