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potprox

Approximation of computed data with empirical pair potentials

• potential
• approximation
• morse
• lennard-jones
• buckingham
• rydberg

amphiluke

published 0.8.0 • 3 months agopublished 0.8.0 3 months ago

@atomistics/lennard-jones-pairwise-js

Pairwise lennard-jones potential in javascript.

• chemistry
• atomistics
• lennard-jones

wwwtyro

published 1.0.0 • 6 years agopublished 1.0.0 6 years ago

@atomistics/pairwise-potential

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

• chemistry
• atomistics
• lennard-jones

wwwtyro

published 1.0.0 • 6 years agopublished 1.0.0 6 years ago