Puffin

• Introduction
• License and Copyright Information
• Installation
  • Prerequisites
    • Basic Requirements
    • Puffin Python Package
    • Puffin Instance
  • Installation
• Usage
  • Basic Usage
  • Docker
    • Command Line Setup
    • Docker Compose Setup
  • Basic Settings and Configuration
• How to Cite
• Support and Contact
• Settings
• Programs
  • Default Programs
    • SCINE: Database
    • SCINE: molassembler
    • SCINE: Readuct
    • SCINE: Utils
  • Optional Extensions
    • SCINE: Sparrow
    • SCINE: Parrot
    • Serenity
    • Orca
    • Gaussian
• Jobs
  • Basic Jobs
    • scine_puffin.jobs
• API
  • Module: bootstrap
    • bootstrap()
  • Module: config
    • Configuration
    • dict_generator()
  • Module: daemon
    • check_environment()
    • shutdown()
    • start_daemon()
    • stop_daemon()
  • Module: jobloop
    • check_setup()
    • kill_daemon()
    • loop()
    • slow_connect()
  • Module: programs.program
    • Program
• Utilities
  • scine_puffin.utilities
    • 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
• Changelog
  • Release 2.0.0
  • Release 1.3.0
  • Release 1.2.0
  • Release 1.1.0
  • Release 1.0.0