Add sigma epsilon LJ potential

arm61 / pylj

Teaching Utility for Classical Atomistic Simulation.

https://pythoninchemistry.org/pylj

MIT License

29 stars 20 forks source link

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 sigma epsilon LJ potential in addition to the A B one there is currently.

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

arm61 commented 5 years ago