Welcome to HDNNP’s documentation!

Contents:

• What is HDNNP?
• How to install HDNNP
  • Python installation
  • Get source code
  • Install dependencies and this program
• How to use HDNNP
  • Data generation
  • Pre-processing
  • Training
  • Prediction
  • Post-processing
• Execution example
  • GaN interatomic potential
• Modules
  • Dataset tools
  • File parsing tools
  • Neural network potential models
  • Pre-processing of dataset
  • Chainer-based training tools
  • Utilities
• How to extend HDNNP
  • Dataset
  • Preprocess
  • Loss function

Indices and tables

• Index
• Module Index
• Search Page