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Reactive Molecular Dynamics

Summary

ReMoDy is a molecular dynamics simulation program including electochemistry and detailed chemical kinetics at the level of elementary reactions.

Features

• Flexible specification of species, reactions, and thermodynamic data.
• Volumetric and boundary reactions.
• Efficient space-time tracking algorithm.
• Parallel multi-threaded implementation (OpenMP).

Documentation

• Overview (ODP, PPT).
• Description (HTML).
• Report (PDF).
• Programmer's Guide (HTML, PDF).

Download

• From Github: github.com/mulphys/md.
• From local archive: Bzipped Tar Archive (8MB).