DPGEN’s documentation

Overview

• Overview
  • About DP-GEN
  • Download and install
  • Use DP-GEN
  • Case Studies
  • License
• Command line interface
  • Sub-commands
• Code Structure

Workflow

• Run
  • Overview of the Run process
  • Example-of-param.json
  • Example of machine.json
  • dpgen run param parameters
  • dpgen run machine parameters
• Init
  • Init_bulk
  • dpgen init_bulk parameters
  • dpgen init_bulk machine parameters
  • Init_surf
  • dpgen init_surf parameters
  • dpgen init_surf machine parameters
  • init_reaction
  • dpgen init_reaction parameters
  • dpgen init_reaction machine parameters
• Simplify
  • Simplify
  • dpgen simplify parameters
  • dpgen simplify machine parameters
• Auto test
  • Autotest Overview: Autotest for Deep Generator
  • Make run and post
  • Relaxation
  • Property
  • Refine
  • Reproduce

Tutorial

• Tutorials
• Publications

User Guide

• User Guide
  • Discussions：
  • Issue：
  • Tutorials
  • Example for parameters
  • Pull requests - How to contribute
  • Troubleshooting
  • Common Errors

Contributing Guide

• Contributing Guide
  • Contributing Guide

How to get help from the community

Contribution

• DP-GEN API
  • dpgen package
• Authors

• Index

• Module Index

• Search Page