mdcore

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Introduction

mdcore is an attempt to construct a general-purpose library containing efficient implementations of the core routines required for Molecular Dynamics simulations on shared-memory parallel architectures.

These target architectures include

  • Multi-Core Processors,
  • The IBM Cell Broadband Engine,
  • Graphics Processing Units,
  • The Intel MIC (work in progress).

The goal of this project is not to provide yet another fully-featured simulation software, but to provide shared-memory functionality that can be easily integrated into existing or future simulation codes.