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QUIP

  • Openness:3 ★★★
  • Document quality:2 ★★☆

A collection of software tools for molecular dynamics calculations. Various interatomic potentials and tight binding models are implemented, and numerous external applications can be invoked. It also supports training and evaluation of GAP (Gaussian Approximation Potential), which is a form of machine learning potential.

Information
Last Update:2022/11/14

Official site

https://github.com/libAtoms/QUIP

License

Most of the source code is available under GPL v2, while some parts are in the public domain. GAP is provided as a submodule under an academic source license.

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