GAP
Installation of QUIP, quippy and GAP
The gap_fit program
Tutorials
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
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