https://github.com/vtlim/plot_potential
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.
https://github.com/vtlim/plot_potential
computational-chemistry cosine coulomb-interactions energy-functions forcefield harmonic lennard-jones matplotlib molecular-dynamics molecular-modeling molecular-simulation morse potential presentation-materials vdw
Last synced: 8 months ago
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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.
- Host: GitHub
- URL: https://github.com/vtlim/plot_potential
- Owner: vtlim
- License: gpl-3.0
- Created: 2021-05-05T05:47:20.000Z (about 5 years ago)
- Default Branch: main
- Last Pushed: 2021-05-05T06:20:48.000Z (about 5 years ago)
- Last Synced: 2025-07-11T10:37:39.874Z (11 months ago)
- Topics: computational-chemistry, cosine, coulomb-interactions, energy-functions, forcefield, harmonic, lennard-jones, matplotlib, molecular-dynamics, molecular-modeling, molecular-simulation, morse, potential, presentation-materials, vdw
- Language: Python
- Homepage:
- Size: 186 KB
- Stars: 3
- Watchers: 0
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# 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](https://cmm.cit.nih.gov/intro_simulation/node15.html)):
