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:
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.
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.
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