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


From: Lamm Gro <lammgro@...24...>
Date: Sat, 8 Jul 2017 11:23:48 +0900

Dear Shan , 

Thanks for your reply .
Can you please let me know how I can calculate it ? 
Actually I couldn't find any example or discussion about that in lammps mailing list .

Thanks for your attention.
Regards,
Saeed.

On Sat, Jul 8, 2017 at 6:21 AM, Ray Shan <rshan@...1795...> wrote:

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@...396...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.