Skip to content

Plot individual potential functions that comprise force fields. Ideal for presentations. Includes energy terms for bonds (harmonic), angles (harmonic), proper torsion (periodic cosine), improper torsion (harmonic), van der Waals (Lennard-Jones), electrostatics (Coulomb), and the Morse potential.

License

Notifications You must be signed in to change notification settings

vtlim/plot_potential

Repository files navigation

Plot Potential

Created: 4 May 2021

Plot individual potential functions that comprise force fields. Ideal for presentations.

Includes energy terms for:

  • bonds (harmonic),
  • angles (harmonic),
  • proper torsion (periodic cosine),
  • improper torsion (harmonic),
  • van der Waals (Lennard-Jones),
  • electrostatics (Coulomb), and
  • the Morse potential.

Code and images are free to modify or use with citation of this work.
The plotting code is all in plot_potential.py.
Author: Victoria T. Lim
Source: https://github.com/vtlim/plot_potential

Example output made with this code (based on ref):

About

Plot individual potential functions that comprise force fields. Ideal for presentations. Includes energy terms for bonds (harmonic), angles (harmonic), proper torsion (periodic cosine), improper torsion (harmonic), van der Waals (Lennard-Jones), electrostatics (Coulomb), and the Morse potential.

Topics

Resources

License

Stars

Watchers

Forks

Languages