n2p2 - A neural network potential package
"539576b"
  • Overview

Topics

  • Build instructions
  • Atomic environment descriptors
  • NNP configuration: keywords
  • Configuration file format
  • NNP training procedure
  • Units

Interfaces

  • LAMMPS NNP interface
  • LAMMPS NNP pair style
  • CabanaMD interface

Tools

  • The libnnp core library
  • nnp-atomenv
  • nnp-checkf
  • nnp-convert
  • nnp-norm
  • nnp-predict
  • nnp-prune
  • nnp-select
  • nnp-scaling
  • nnp-train

Miscellaneous

  • CabanaMD GPU build example
  • Descriptor analysis/Coarse-graining

API

  • Neural network
  • Cutoff functions
  • Symmetry function types
  • Symmetry function scaling
  • Memory layout

About

  • Authors
  • How to cite
  • License
  • Changelog
n2p2 - A neural network potential package
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License

This software is licensed under the GNU General Public License version 3 or any later version (GPL-3.0-or-later).

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© Copyright 2022, Andreas Singraber.

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