https://github.com/CompPhysVienna/n2p2

n2p2 - A Neural Network Potential Package
https://github.com/CompPhysVienna/n2p2

Last synced: 2 months ago
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n2p2 - A Neural Network Potential Package

• Host: GitHub
• URL: https://github.com/CompPhysVienna/n2p2
• Owner: CompPhysVienna
• License: gpl-3.0
• Created: 2018-07-25T12:29:17.000Z (over 6 years ago)
• Default Branch: master
• Last Pushed: 2023-05-11T16:26:02.000Z (over 1 year ago)
• Last Synced: 2024-08-02T19:01:31.056Z (6 months ago)
• Language: C++
• Homepage: https://compphysvienna.github.io/n2p2/
• Size: 80.5 MB
• Stars: 215
• Watchers: 12
• Forks: 81
• Open Issues: 78
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.rst
  • License: LICENSE

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README

        
n2p2 - A neural network potential package

=========================================

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.1344446.svg)](https://doi.org/10.5281/zenodo.1344446)

[![GitHub release](https://img.shields.io/github/release/CompPhysVienna/n2p2.svg)](https://GitHub.com/CompPhysVienna/n2p2/releases/)

[![Build Status](https://app.travis-ci.com/CompPhysVienna/n2p2.svg?branch=master)](https://app.travis-ci.com/CompPhysVienna/n2p2)

[![Coverage](https://codecov.io/gh/CompPhysVienna/n2p2/branch/master/graph/badge.svg)](https://codecov.io/gh/CompPhysVienna/n2p2)

[![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)

This repository provides ready-to-use software for high-dimensional neural

network potentials in computational physics and chemistry.

# [Documentation](http://compphysvienna.github.io/n2p2)

This package uses automatic documentation generation via

[Sphinx](http://www.sphinx-doc.org),

[Breathe](https://breathe.readthedocs.io/en/latest/#) and

[doxygen](http://www.doxygen.nl/). An online version of the documentation which

is automatically updated with the master branch of the repository can be found

[__here__](http://compphysvienna.github.io/n2p2).

# Authors

See [AUTHORS.rst](https://github.com/CompPhysVienna/n2p2/blob/master/AUTHORS.rst) for a list of contributions.

# License

This software is licensed under the [GNU General Public License version 3 or any later version (GPL-3.0-or-later)](https://www.gnu.org/licenses/gpl.txt).