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JurassicBunny's repositories

EZAIMD

Command line tool that allows the user to easly run ab initio molecular dynamics (AIMD) interfacing with the Gaussian16 quantum chemical package.

Language:RustMIT100

couleur

Language:RustMIT000

rust_vec

A bare bones vector struct for working in three dimensions.

Language:RustMIT000

Vectored

Wrapper around the Eigen::Vector3d class. Allows for more declarative and type safe programing when three dimensional vectored quantities are required.

Language:C++MIT000

rgaussian16

rust library which can gernerate input for the Gaussian16 quantum chemical package

Language:RustMIT200