Welcome to simple_nn’s documentation!

Contents:

• Install
  • Install SIMPLE-NN
    • Requirements
    • Install from source
  • Install LAMMPS implementation
• Tutorials
  • Preparing dataset
  • Preparing inputs files
  • Running the code
  • Outputs
  • MD simulation with LAMMPS
• Examples
  • Introduction
  • Generate NNP
  • Potential test
    • Generate test dataset
    • Error check
    • Molecular dynamics
  • Parameter tuning
    • GDF
• Features
  • Introduction
  • Feature list
    • Symmetry function
      • Introduction
      • Parameters
      • Inputs
      • Methods
• Models
  • Introduction
  • Model list
    • High-dimensional neural network
      • Introduction
      • Parameters
      • Methods

Indices and tables

• Index
• Module Index
• Search Page