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  • 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

  • Index
  • Module Index
  • Search Page
  • Module Source Code
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TutorialsΒΆ

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, Albert Bartok-Partay, Noam Bernstein, Gabor Csanyi and James Kermode

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