LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] fix deform alternate
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] fix deform alternate

From: Michael King <michael.king@...5650...>
Date: Tue, 5 Dec 2017 17:57:26 +0100

Since you want to have a wall where they can't move through:
"fix wall" is what you are looking for.
Same goes for the rest, just screen the documentation ( for keywords related to what you want to do and read the page.
They will point out the usage / limits etc. Thats the easiest way to learn it and faster then waiting for others to answer


On 05/12/17 15:19, Rajesh wrote:
Dear Dr King,
After changing the box, I am getting desired density by shrinking the box.
But since I am using s p p, box again expands if I equalibrate it. Is there
any way to hold the atoms inside the shrunk box while equalibration?

On Dec 5, 2017 7:45 PM, "Michael King" <michael.king@...5650...> wrote:

Dear lammps users,
Is there any way in lammps to shrink or expand a dimension with
non-periodicity? Since fix deform can not be used on non-periodic
boundaries, I can't use it.

Thank you.


Just do manually what fix deform does for you.

boundary s p p
label loop_shrink
   variable n loop 10
   change_box all x scale 0.5 remap
   next n
jump SELF loop_shrink

Copy in.lj and modify it to test it.
Next time just check related commands and you can figure it out by

Ph.D Candidate
Computational Chemistry
University of Konstanz, Germany

Check out the vibrant tech community on one of the world's most
engaging tech sites,!
lammps-users mailing list

Ph.D Candidate
Computational Chemistry
University of Konstanz, Germany