LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] Using multiple instances of Reax/c in Hybrid pair style
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] Using multiple instances of Reax/c in Hybrid pair style


From: Rajesh <creativeidleminds@...24...>
Date: Fri, 18 May 2018 20:10:52 +0530

Ok, thanks for the clarification, Steve. 

On Fri, May 18, 2018, 19:55 Steve Plimpton <sjplimp@...24...> wrote:
Most pair styles can be used multiple times in a single pair hybrid command.
The syntax is different than what you listed - see the doc page.
However, I don't believe reax/c allows it, b/c the code wasn't written
to allow it.

It also does not likely make physical sense for the ReaxFF potetential.

Steve


On Wed, May 16, 2018 at 11:38 AM, Rajesh <creativeidleminds@...24...> wrote:
Dear users
Can I use reax/c multiple times in hybrid pair style with two different parameters files? like
pair_style hybrid  reax/c reax/c
pair_coeff * * reax/c ffield.reax.BN1 B  N
pair_coeff * * reax/c ffield.reax.BN2 H C N


Thank you.

Regards
Raj


------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/lammps-users