Simple teaching tool for classical MD simulation
Project description
<a href="http://pythoninchemistry.org/pylj"><img src="https://github.com/arm61/pylj/blob/master/logo/logo.png?raw=true" width= "80%"/></a>
## Visit the [pylj](http://pythoninchemistry.org/pylj) webpage for more information about pylj.
To build from source:
```python
pip install -r requirements.txt
python setup.py build
python setup.py install
python setup.py test
```
Check out our publication in the [Journal of Open Source Education](http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d) to find out more about pylj.
Be aware! pylj runs within a [Jupyter notebook](http://jupyter.org/), and therefore requires this to run. We advise installing [anaconda python](https://anaconda.org/) as this includes many required libraries as well as the Jupyter notebooks framework.
If you need any help using pylj contact arm61 in the [pylj/HELP gitter chatroom](https://gitter.im/pylj/HELP).
Check out some [examples](https://github.com/arm61/pylj/tree/master/examples) of how pylj can be used in undergraduate teaching exercises.
[](http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d)
[](https://zenodo.org/badge/latestdoi/119863480)
[](http://pylj.readthedocs.io/en/latest/?badge=latest)
[](https://badge.fury.io/py/pylj)
[](https://travis-ci.org/arm61/pylj)
[](https://coveralls.io/github/arm61/pylj?branch=master)
[](https://gitter.im/pylj/Lobby#)
## Visit the [pylj](http://pythoninchemistry.org/pylj) webpage for more information about pylj.
To build from source:
```python
pip install -r requirements.txt
python setup.py build
python setup.py install
python setup.py test
```
Check out our publication in the [Journal of Open Source Education](http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d) to find out more about pylj.
Be aware! pylj runs within a [Jupyter notebook](http://jupyter.org/), and therefore requires this to run. We advise installing [anaconda python](https://anaconda.org/) as this includes many required libraries as well as the Jupyter notebooks framework.
If you need any help using pylj contact arm61 in the [pylj/HELP gitter chatroom](https://gitter.im/pylj/HELP).
Check out some [examples](https://github.com/arm61/pylj/tree/master/examples) of how pylj can be used in undergraduate teaching exercises.
[](http://jose.theoj.org/papers/58daa1a1a564dc8e0f99ffcdae20eb1d)
[](https://zenodo.org/badge/latestdoi/119863480)
[](http://pylj.readthedocs.io/en/latest/?badge=latest)
[](https://badge.fury.io/py/pylj)
[](https://travis-ci.org/arm61/pylj)
[](https://coveralls.io/github/arm61/pylj?branch=master)
[](https://gitter.im/pylj/Lobby#)
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