diff --git a/potentials/ffield.reax.budzien b/potentials/ffield.reax.budzien index e55c84c3f9016d702b549ae2d837e6926b8a00b3..52e28165c7d5506dc657f46047944d6ec5013332 100644 --- a/potentials/ffield.reax.budzien +++ b/potentials/ffield.reax.budzien @@ -1,4 +1,4 @@ -Reactive MD-force field: PETN +Reactive MD-force field: PETN: J. Budzien, A. P. Thompson, and S. V. Zybin, J. Phys. Chem., 113 13142 (2009). 39 ! Number of general parameters 50.0000 !Overcoordination parameter 9.4514 !Overcoordination parameter diff --git a/potentials/ffield.reax.mattsson b/potentials/ffield.reax.mattsson index 5d372d73b5f3f30b27ca8ed75083d35ba2b4ad97..ab4e76c10f36a4170754a969a9daed26cae7c108 100644 --- a/potentials/ffield.reax.mattsson +++ b/potentials/ffield.reax.mattsson @@ -1,4 +1,4 @@ -Reactive MD-force field +Reactive MD-force field: 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, Phys. Rev. B, 81 054103 (2010). 39 ! Number of general parameters 50.0000 !Overcoordination parameter 9.5469 !Overcoordination parameter