potprox

Approximation of computed data with empirical pair potentials

v0.8.0 URL: https://unpkg.com/potprox@0.8.0/dist/potprox.min.js

Open Browse Files

potential approximation morse lennard-jones buckingham rydberg

@atomistics/pairwise-potential

Takes a pairwise function and returns a function that can calculate the energy from a set of 3D positions.

v1.0.0 URL: https://unpkg.com/@atomistics/pairwise-potential@1.0.0/index.js

Open Browse Files

chemistry atomistics lennard-jones

@atomistics/lennard-jones-pairwise-js

Pairwise lennard-jones potential in javascript.

v1.0.0 URL: https://unpkg.com/@atomistics/lennard-jones-pairwise-js@1.0.0/index.js

Open Browse Files

chemistry atomistics lennard-jones