All modules for which code is available
- scine_puffin.bootstrap
- scine_puffin.config
- scine_puffin.daemon
- scine_puffin.jobloop
- 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.job
- scine_puffin.jobs.templates.kinetic_modeling_jobs
- scine_puffin.jobs.templates.scine_connectivity_job
- scine_puffin.jobs.templates.scine_hessian_job
- scine_puffin.jobs.templates.scine_job
- scine_puffin.jobs.templates.scine_job_with_observers
- scine_puffin.jobs.templates.scine_observers
- scine_puffin.jobs.templates.scine_optimization_job
- scine_puffin.jobs.templates.scine_propensity_job
- scine_puffin.jobs.templates.scine_react_job
- scine_puffin.jobs.templates.sub_settings_job
- scine_puffin.jobs.templates.turbomole_job
- scine_puffin.jobs.turbomole_bond_orders
- scine_puffin.jobs.turbomole_geometry_optimization
- scine_puffin.jobs.turbomole_hessian
- scine_puffin.jobs.turbomole_single_point
- scine_puffin.programs.database
- scine_puffin.programs.gaussian
- scine_puffin.programs.molassembler
- scine_puffin.programs.orca
- scine_puffin.programs.parrot
- scine_puffin.programs.program
- scine_puffin.programs.readuct
- scine_puffin.programs.serenity
- scine_puffin.programs.sparrow
- scine_puffin.programs.utils
- scine_puffin.utilities.compound_and_flask_helpers
- scine_puffin.utilities.imports
- scine_puffin.utilities.kinetic_modeling_sensitivity_analysis
- scine_puffin.utilities.masm_helper
- scine_puffin.utilities.program_helper
- scine_puffin.utilities.properties
- scine_puffin.utilities.qm_mm_settings
- scine_puffin.utilities.reaction_transfer_helper
- scine_puffin.utilities.rms_input_file_creator
- scine_puffin.utilities.rms_kinetic_model
- scine_puffin.utilities.scine_helper
- scine_puffin.utilities.surface_helper
- scine_puffin.utilities.task_to_readuct_call
- scine_puffin.utilities.transfer_helper
- scine_puffin.utilities.turbomole_helper