Test Status

A tiny package to compute the dynamics of stochastic and molecular simulations.

License:BSD 3-clause
Author:Pierre de Buyl


  • performs the computation of mean-square displacements and correlation functions.
  • accepts as input NumPy arrays storing the positions and velocities of particles.
  • implements the so-called Fast Correlation Algorithm proposed by Kneller and others for the nMOLDYN analysis program.
  • depends only Python and NumPy.

For a quick jump into tidynamics, have a look at the examples.

Goals and plans:

  • Minimal dependencies.
  • Serve as a reference implementation for common algorithms that are useful for molecular and stochastic simulations.
  • Provide later a bit more flexibility to handle cross correlations and many-body systems.


It is necessary to have Python and NumPy to install and use tidynamics.

tidynamics can be installed with pip:

pip install --user tidynamics

It is also possible to download the source code and execute the setup.py file.

I ran the tests with Python 2.7, 3.5 and 3.6 and NumPy 1.11 and 1.13. If you encounter any issue, let me know (see Contact below).


We use pytest for testing:

python -m pytest


To contact the author about tidynamics, you can either write an email to Pierre de Buyl or use the issue tracker of the GitHub project.