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Pairwise lennard-jones potential in javascript.
published version 1.0.0, 7 years ago0 dependents licensed under $Unlicense
11
Takes a pairwise function and returns a function that can calculate the energy from a set of 3D positions.
published version 1.0.0, 7 years ago0 dependents licensed under $Unlicense
11
Given a set of atomic positions and a potential energy calculator, provides a function that steps in the direction of the force.
published version 1.0.1, 7 years ago0 dependents licensed under $Unlicense
10
An xyz chemical file format parser and tools for interacting with xyz files.
published version 1.0.0, 7 years ago0 dependents licensed under $Unlicense
9
Atomic positions and numbers of the caffeine molecule.
published version 1.0.0, 7 years ago0 dependents licensed under $Unlicense
7
A table of information about the chemical elements.
published version 1.0.0, 7 years ago1 dependents licensed under $Unlicensed
5