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Tiny package to compute dynamics correlations

Project description

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.

Project details


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