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
    • Serenity
    • Orca
    • Gaussian
• Jobs
  • Basic Jobs
    • Conformer Generation
    • SCINE: AFIR
    • SCINE: Bond Orders
    • SCINE: Geometry Optimization
    • SCINE: Hessian
    • SCINE: IRC Scan
    • SCINE: Artificial Force Induced Reaction Probe
    • SCINE: Newton Trajectory Reaction Probe
    • SCINE: Newton Trajectory 2 Reaction Probe
    • SCINE: Single Point
    • SCINE: Transition State Optimization
  • Specialized Jobs
    • Gaussian: Partial Charges - Charge Model 5
    • Orca: Geometry Optimization
    • Turbomole: Geometry Optimization
    • Turbomole: Single Point
    • Turbomole: Hessian
    • Turbomole: Bond Orders
    • Debugging: Sleep
• API
  • Module: bootstrap
  • Module: config
  • Module: daemon
  • Module: jobloop
  • Module: jobs.templates.job
  • Module: programs.program
• Changelog
  • Release 1.0.0