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Simple parallel molecular dynamics simulation of a Lennard-Jones fluid in Rust 🦀

GPL-3.0 license

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.github/workflows		.github/workflows
src		src
.gitignore		.gitignore
Cargo.lock		Cargo.lock
Cargo.toml		Cargo.toml
LICENSE		LICENSE
README.md		README.md

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md-rs

Simple molecular dynamics simulation of a Lennard-Jones fluid written from scratch in Rust 🦀 as a exercise

Fully parallel integration and force computation using Rayon multi-threading
Extensible integrators, potentials, and thermostats
(Gzipped) XYZ trajectory output

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Simple parallel molecular dynamics simulation of a Lennard-Jones fluid in Rust 🦀

rust molecular-dynamics molecular-dynamics-simulation

GPL-3.0 license

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Rust 100.0%