Hi all,
After compressing a simulation box 80x40x40, i.e, by using fix wall/reflect with variable, I wrote a restart file (using write_restart).
Now I want to use the new simulation box through read_restart. It’s seem that at this time atoms are compressed, but lx (new),ly(new) … are still 80, 40, 40 and xlo_new, xhi_new, don’t change. I used thermo_style command to dump lx, ly, lz, I didn’t see any change.
Could you please tell me how I can get the new sizes of the simulation box.
Thanks in advance
Cheers,
Nam
Hi all,
After compressing a simulation box 80x40x40, i.e, by using fix wall/reflect
with variable, I wrote a restart file (using write_restart).
Now I want to use the new simulation box through read_restart. It's seem
that at this time atoms are compressed, but lx (new),ly(new) ... are still
80, 40, 40 and xlo_new, xhi_new, don't change. I used thermo_style command
to dump lx, ly, lz, I didn't see any change.
as you should. you moved the wall, but didn't change the box.
those are two different entities.
Could you please tell me how I can get the new sizes of the simulation box.
the box didn't change.
displace_box for example will change the box,
or fix deform.
RT(F)M!
axel.
Thanks for your reply.
But if I remember right, these command cannot apply to non-periodic box , so I must use fix wall/reflect to deform the box
Is there other ways to deform box and get new size.
Kind regards,
Nam
2011/12/21 Axel Kohlmeyer <[email protected]>
Thanks for your reply.
But if I remember right, these command cannot apply to non-periodic box , so
I must use fix wall/reflect to deform the box
Is there other ways to deform box and get new size.
your question doesn't make any sense.
steve already told you so,
and now i'll tell you again.
since you don't seem to want to follow any
advice you are being given, there is little
that anybody can do about it.
your problem is not with lammps but
with the squishy greyish thing somewhere
between your chair and your computer,
and we don't have a bugfix for that.
axel.
I am so sorry, Axel.
I misunderstood the command fix wall.
Thanks,
Nam
2011/12/21 Axel Kohlmeyer <[email protected]>
The displace_box command does only work with periodic
dimensions. But if you make non-periodic dimensions
of type shrink-wrap (boundary s) then they will shrink
naturally as you use a wall to compress your atoms
in that dim(s).
Steve
Yes, many thanks Steve. I gonna to change type of boundary.
Cheers,
Nam
2011/12/22 Steve Plimpton <[email protected]>