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@ -5,6 +5,13 @@ at cs.purdue.edu, while at Purdue University. Contact him directly,
or Aidan Thompson (Sandia) at athomps at sandia.gov, if you have
questions.
For technical details about this implemention of ReaxFF, see
this paper:
Parallel and Scalable Reactive Molecular Dynamics: Numerical Methods
and Algorithmic Techniques, H. M. Aktulga, J. C. Fogarty,
S. A. Pandit, A. Y. Grama, Parallel Computing, to appear (2011).
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Note that the files with names starting with "reaxc" in this package