MFF
stable
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
MFF
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Installation
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Requirements
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Python