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Re: [lammps-users] fix deform alternate
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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 (http://lammps.sandia.gov/doc/Section_commands.html#individual-commands) 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

Micha


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.


Rajesh


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
yourself


--
Ph.D Candidate
Computational Chemistry
University of Konstanz, Germany

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-- 
Ph.D Candidate
Computational Chemistry
University of Konstanz, Germany