Hi, All.
There is a question that puzzles me for a long time. In LAMMPS, we just
use Cammand "boundary" to Set the style of boundaries for the global
simulation box in each dimension, then We can use Command "create_box"
to create a simulation box based on the specified region. In my
simulation, the simulation box is vrey big. Then I just use Command
"region" to set the simulation region, then a question comes out.
For instance,
Hi, All.
There is a question that puzzles me for a long time. In LAMMPS, we just
use Cammand "boundary" to Set the style of boundaries for the global
simulation box in each dimension, then We can use Command "create_box"
to create a simulation box based on the specified region. In my
simulation, the simulation box is vrey big. Then I just use Command
"region" to set the simulation region, then a question comes out.
For instance,################################################################################
units metal
dimension 3
boundary p s s
atom_style atomic################################################################################
region box block -1000 1000 -1000 1000 -1000 1000
create_box 2 box
mass 1 63.55
mass 2 12.01################################################################################
lattice fcc 3.6149
region workpiece block -100 100 -100 100 -100 100
create_atoms 1 region workpiece################################################################################
then the "workpiece" region's boudary condition is not the same as that
of box, is not "p s s", but this is not what I want. In one word, how
can I create a region whose boundary condition is "p s s" in a region
box whose boundary condition is "p s s"?Thanks all. I wish that I can make you understand.
yes, but what you are asking for doesn't make a lot of sense. for "s"
boundary it is not necessary to embed a smaller box into a larger box,
since the box will automatically expand to the extent of where your
particles go. for "p" boundary, it is impossible to embed a smaller
box into a larger box. the boundary *cannot* be periodic. think about
it for a bit more. it is simply not possible and makes no sense.
axel.
> Hi, All.
> There is a question that puzzles me for a long time. In LAMMPS, we just
> use Cammand "boundary" to Set the style of boundaries for the global
> simulation box in each dimension, then We can use Command "create_box"
> to create a simulation box based on the specified region. In my
> simulation, the simulation box is vrey big. Then I just use Command
> "region" to set the simulation region, then a question comes out.
> For instance,
>
> ################################################################################
> units metal
> dimension 3
> boundary p s s
> atom_style atomic
>
> ################################################################################
> region box block -1000 1000 -1000 1000 -1000 1000
> create_box 2 box
> mass 1 63.55
> mass 2 12.01
>
> ################################################################################
>
> lattice fcc 3.6149
> region workpiece block -100 100 -100 100 -100 100
> create_atoms 1 region workpiece
>
> ################################################################################
>
> then the "workpiece" region's boudary condition is not the same as that
> of box, is not "p s s", but this is not what I want. In one word, how
> can I create a region whose boundary condition is "p s s" in a region
> box whose boundary condition is "p s s"?
>
> Thanks all. I wish that I can make you understand.yes, but what you are asking for doesn't make a lot of sense. for "s"
boundary it is not necessary to embed a smaller box into a larger box,
since the box will automatically expand to the extent of where your
particles go. for "p" boundary, it is impossible to embed a smaller
box into a larger box. the boundary *cannot* be periodic. think about
it for a bit more. it is simply not possible and makes no sense.axel.
Thanks, I will try to understand.