User Guide

• Installation
  • Requirements
  • Instructions
  • Installation Verification
• The nequip workflow
  • Training
  • Testing
  • Deploying
  • Using deployed models
    • …to run simulations and other calculations
    • …at a low level in your own code
• Config
  • run
  • data
  • trainer
  • training_module
  • global_options
• FAQs and Common Errors/Warnings
  • FAQs
  • Commons Errors
  • Common Warnings
    • Other
• Conventions
  • Glossary
  • Data Format Conventions
  • Pressure / stress / virials