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Tiny package to compute dynamics correlations

Project description

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

tidynamics depends only on Python and NumPy and performs the computation of

  • Mean-square displacements

  • Correlation functions

tidynamics accepts as input NumPy arrays storing the positions and velocities of particles.

tidynamics relies on the so-called Fast Correlation Algorithm proposed by Kneller and others for the nMOLDYN analysis program.

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

License:

BSD 3-clause

Author:

Pierre de Buyl

Website:

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

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