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haskell-molecular-dynamics

Haskell Implementation of Generic N-Body Computations

This project aims to provide some simple tools for doing N-Body computations in Haskell while leveraging the parallelism facilities of GHC. Currently, the following is provided

  • A generic API for the Barnes-Hut algorithm. This code is intentionally agnostic to the force being calculated. The goal being that these facilities could be easily plugged into an N-Body simulation regardless of whether the system being simulated is governed by gravity, Coulomb's law, van der Waal's forces, etc. The user need only supply object positions and the per object force quantity (mass for gravity, charge for Coulomb's law, etc.).

  • A simple parallel integrator for a gravitational system using Verlet integration. Parallelism for this step is provided by Repa.

  • A relatively high level represenation of objects and vectors in the system. The implementation of the gravitational system explicitly uses parallel arrays of vectors, though it is possible to use a single array of "particles" as the system representation without performance impact. Keeping them separate is easier for Verlet integration. This relies heavily on GHC's optimizer to achieve good performance.

  • Some functions to load simple CSV and binary data formats of systems.

  • Sample program which populates a cubical system based on the given input. The command line argument is interpreted as particles per edge, so the total particle count is the cube of the input.

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