Added ReaxFF parameter files

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3815 f3b2605a-c512-4ea7-a41b-209d697bcdaa

potentials/README.reax

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+Different parameterization of the ReaxFF potential have been 
+used in different published works. A small number of these are provided 
+in the LAMMPS potentials directory, in the form of ffield.reax.[label] 
+files. The mapping from parameter files to publication is as follows:
+
+ffield.reax is the same as ffield.reax.mattson
+
+ffield.reax.mattsson: general-purpose hydrocarbon parameterization
+T. R. Mattsson, J. M. D. Lane, K. R. Cochrane, M. P. Desjarlais, 
+A. P. Thompson, F. Pierce, and G. S. Grest, "First-Principles and 
+Classical Molecular Dynamics Simulation of Shocked Polymers ," 
+Phys. Rev. B, 81 054103 (2010).
+
+ffield.reax.budzien: PETN
+J. Budzien, A. P. Thompson, and S. V. Zybin, "Reactive Molecular Dynamics 
+Simulations of Shock Through a Single Crystal of Pentaerythritol 
+Tetranitrate," J. Phys. Chem., 113 13142 (2009).
+
+ffield.reax.rdx: nitramines (RDX/HMX/TATB/PETN) 
+RDX: (I) Zhang, L., van Duin, A.C.T., Zybin, S. and Goddard, W.A. (2009) 
+Thermal Decomposition of Hydrazines from Reactive Dynamics Using the ReaxFF 
+Reactive Force Field, Journal of Physical Chemistry A 113, 10770-10778.
+(II) Zhang, L., van Duin, A.C.T., Kober, E., Zybin, S. and Goddard, W.A. 
+(2009) accepted for publication in J.Phys.Chem.A (HMX/TATB carbon 
+cluster formation) 
+
+ffield.reax.cho: c/h/o combustion force field November 2006
+CHO: ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon 
+Oxidation" Kimberly Chenoweth, Adri C. T. van Duin, and William A. Goddard, III
+1040 J. Phys. Chem. A 2008, 112, 1040-1053.