tidynamics 0.1.0.dev3

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

License:

BSD 3-clause

Author:

Pierre de Buyl

Website:

http://lab.pdebuyl.be/tidynamics/

tidynamics

• 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.

The development of tidynamics is in early stages but it features several tests.

Goals:

• Minimal dependencies.

• Serve as a reference implementation for common algorithms that are useful for molecular and stochastic simulations.