About
mlyzed is a small library for post-processing molecular dynamics (MD) simulations. The main features of the code are trajectory unwrapping, FFT calculation of the MSD, and ease of use.

For more info, see usage. Installation.

Warning

Note: The library is not guaranteed to be bug free. If you observe unexpected results, errors, please report an issue at the github.

Alternatives

Here are some alternatives and inspirations for this library (see below). You may find them better in some ways.

• pymatgen-diffusion-analysis

• kinisi

• MDAnalysis

• LLC_Membranes

Contents:

• Installation