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All Projects → arm61 → pylj

arm61 / pylj

Licence: MIT license
Teaching Utility for Classical Atomistic Simulation.

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educationchemistryphysicsmonte-carlojupyter-notebookmolecular-dynamicscomputational-chemistrycomputational-physics

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Visit the pylj webpage for more information about pylj.

To build from source:

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 to find out more about pylj.

Be aware! pylj runs within a Jupyter notebook, and therefore requires this to run. We advise installing anaconda python 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.

Check out some examples of how pylj can be used in undergraduate teaching exercises.

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