diff --git a/src/USER-REAXC/README b/src/USER-REAXC/README index d7f66d1a74..9d1c8b1ac7 100644 --- a/src/USER-REAXC/README +++ b/src/USER-REAXC/README @@ -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). + -------------------------------------- Note that the files with names starting with "reaxc" in this package