|From:||Ray Shan <rshan@...1795...>|
|Date:||Fri, 7 Jul 2017 21:21:44 +0000|
Calculating binding energy with ReaxFF is just like with any other potentials.
Dear LAMMPS users ,
I do MD simulation by REAXFF . I was wondering if there is any way for calculating binding energy with this force field .
I checked the mailing list but i couldn't find any helpful discussion about that.
Thanks for your attention .