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: about 1 month ago
JSON representation

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 (over 3 years ago)
• Default Branch: main
• Last Pushed: 2021-05-05T06:20:48.000Z (over 3 years ago)
• Last Synced: 2024-10-16T20:35:53.456Z (2 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: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

Awesome Lists containing this project

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)):  

![](together.png)