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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 or Aidan Thompson (Sandia) at athomps at sandia.gov, if you have
questions. 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 Note that the files with names starting with "reaxc" in this package