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Credit goes to libatoms.github.io

Installation of QUIP, quippy and GAP
The gap_fit program
Tutorials
SOAP and GAP reference
GAP models and databases
Acceleration of Ab-initio MD with On-the-Fly GAP Models

Index
Module Index

GAP

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Tutorials
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Tutorials

The following tutorials are currently available:

Using QUIP potentials with Atomic Simulation Environment
Computing descriptors from python
Training a GAP model
The SOAP descriptor, Gaussian Approximation Potentials (GAP) and machine-learning of force fields

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© Copyright 2019-2022, Albert Bartok-Partay, Noam Bernstein, Gabor Csanyi and James Kermode.

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