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arm61 / pylj

Teaching Utility for Classical Atomistic Simulation.
https://pythoninchemistry.org/pylj
MIT License
29 stars 20 forks source link

Add buckingham forcefield #30

Closed arm61 closed 5 years ago

arm61 commented 5 years ago

Now that there is support for other forcefields, it would be nice to have a Buckingham potential

arm61 commented 5 years ago

How this is done for a Lennard-Jones potential can be found in pylj/forcefields.py

arm61 commented 5 years ago

@symmy596 is working on this in https://github.com/arm61/pylj/pull/36

arm61 commented 5 years ago

closed with https://github.com/arm61/pylj/pull/37