Fortnet Recipes

• Introduction
  • Before You Start
  • Where to start
• Basic Usage
  • First Training with Fortnet
  • First Predictions with Fortnet
  • Incorporating External Atomic Features
• Generating a Dataset
  • Fortformat: Basic Fortnet Input Format Class
  • Global Properties
  • Atomic Properties
  • Weighting Datapoints
  • Contiguous Dataset File
  • External Atomic Features
• Behler-Parrinello-Neural-Network
• Atom-Centered Symmetry Functions
  • Automatic Parameter Generation
  • Atom-Specific Scaling Factors
  • Multi-Species Systems
• Activation Functions
  • Hyperbolic Tangent
  • Sigmoid
  • Gaussian
  • ReLU
  • Heaviside
  • Linear
• Loss Functions
  • Mean Squared Error
  • Root Mean Square Error
  • Mean Absolute Error
  • Mean Absolute Percentage Error
• Optimizer
  • General Optimizer Settings
  • Optimizer Specific Settings
• Licence
• Bibliography