https://github.com/berquist/mbe

https://github.com/berquist/mbe

Last synced: 5 months ago
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• Host: GitHub
• URL: https://github.com/berquist/mbe
• Owner: berquist
• License: mpl-2.0
• Created: 2015-06-11T13:18:55.000Z (about 11 years ago)
• Default Branch: master
• Last Pushed: 2020-05-20T03:34:25.000Z (about 6 years ago)
• Last Synced: 2025-10-27T19:41:03.202Z (8 months ago)
• Language: Python
• Size: 243 KB
• Stars: 0
• Watchers: 2
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.md

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README

          
# MBE (many-body expansion)

[![build status](http://img.shields.io/travis/cclib/cclib/master.svg?style=flat)](https://travis-ci.org/berquist/mbe)

Tools for generating many-body expansion expressions, and splitting apart molecular systems into appropriate fragments for MBE expressions.

## How to run

The best way to see how the code runs (and performs) is to look at `examples/timing.sh`.

### Testing

```

pytest -v

```