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ReaxFF_class_code

ReaxFF code for simulating atomic systems in ME597A

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Version 1.6 - published on 07 Mar 2012

doi:10.4231/D3804XJ4D cite this

Open source: license | code unavaialble

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Abstract

This code uses the nanohub/rappture interface in order to set up the parameters for a ReaxFF simulation.

Credits

Adri C. T. van Duin, Ph.D. - Main source code. Michael F. Russo Jr., Ph.D. - Rappture interface/adaptation

Cite this work

Researchers should cite this work as follows:

  • Michael Russo (2012), "ReaxFF_class_code," https://nanohub.org/resources/reaxff597a. (DOI: 10.4231/D3804XJ4D).

    BibTex | EndNote

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  1. ReaxFF

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