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Re: [lammps-users] Binding Energy by Reaxff
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Re: [lammps-users] Binding Energy by Reaxff


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.

 

Ray

 

From: Lamm Gro <lammgro@...24...>
Date: Friday, July 7, 2017 at 1:26 AM
To: lammps-users <lammps-users@lists.sourceforge.net>
Subject: [lammps-users] Binding Energy by Reaxff

 

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 .

 

Regards,

Saeed.