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Table of Contents

  • Installation
    • Requirements
  • Models
    • Building a model
    • Fitting the model
    • Predicting forces and energies with the GP
    • Building a mapped potential
    • Saving and loading a model
    • Model’s complete reference
  • Configurations
    • Configurations
  • Gaussian Processes
    • Gaussian Process
    • The “kernels” module
  • Calculators
    • Theory/Introduction
    • Example
    • Running the Calculator
  • API Reference
    • The “models” module
    • The “gp” module
    • The “configurations” module
    • The “calculators” module
    • The “kernels” module

Appendix

  • Index
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Revision c167b6c3.