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Re: [lammps-users] Keeping a particular region empty during run
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Re: [lammps-users] Keeping a particular region empty during run


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 19 Sep 2017 10:46:45 -0400



On Tue, Sep 19, 2017 at 10:44 AM, Steve Plimpton <sjplimp@...24...> wrote:
You'd need to apply some repulsive force to keep
atoms out of the region.  Fix wall/region can do
something like that.

​or simply put some atoms there, that are not time integrated, i.e. won't move, and then delete them, when you ​want the vacancy.

axel.

 

Steve

On Mon, Sep 18, 2017 at 10:42 PM, Rajesh <creativeidleminds@...24...> wrote:
Dear lammps users,

At the start, I have an empty region ( 30 40 30 40 40 45)  in my simulation box and I want this to remain empty for some time say during nvt/npt relaxation. Is there any command in lammps to achieve this?


Thanks 
Rajesh

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.