AutoPot documentation

AutoPot is a collection of workflows for generating machine-learning interatomic potentials in an automated fashion.

This documentation follows the top-level sections of the main README.md.

Contents:

• What Is AutoPot?
• BlackDynamite Studies
• AutoPot Workflow
• Tutorial
  • Tutorial Description
  • Files
  • Model
  • Workflow
  • Running
  • Relation to the Main AutoPot Workflow
  • Reference
• Requirements
• Examples
  • Unary Example
  • Alloy Example
• How to Make Your Own Potential?
• How to Debug the AutoPot Workflow?
• How to Run AutoPot on a Cluster?