Sunday, July 15, 2012

Last Pet Project: Event-Driven Molecular Dynamics

During the last week @remosu and I have been pair-programming a pet project: edmd.

It is a Python implementation of a simple Event-Driven Molecular Dynamics algorithm described in the Event-Driven Molecular Dynamics chapter of the book Computational Granular Dynamics: Models and Algorithms by Thorsten Pöschel and Thomas Schwager.

We plan to revisit edmd in the future to optimize the event-updating phase by using a cell list.

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