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Re: [lammps-users] Reax Energy function
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Re: [lammps-users] Reax Energy function


From: Rajesh <creativeidleminds@...24...>
Date: Thu, 14 Dec 2017 13:20:01 +0530

look for original paper ReaxFF: A Reactive Force Field for Hydrocarbons

On Thu, Dec 14, 2017 at 12:50 PM, Anubhav Roy <aroy13@...3211...> wrote:
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

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