LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] Reax Energy function
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] Reax Energy function

From: Anubhav Roy <aroy13@...3211...>
Date: Thu, 14 Dec 2017 01:20:57 -0600

Hello all,
 I am interested to know about any available documentation regarding mathematical description of bond-energy as a function of bond distance through bond order for Reax force field. I have gone through the main article "The ReaxFF reactive force-field: development, applications and future directions". If anybody knows about any other reference to get the energy equation, I would like to request if that can be shared. Thanks a lot.
Yours Truly
Anubhav Roy