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Re: [lammps-users] fix deposition
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Re: [lammps-users] fix deposition


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 16 Sep 2017 10:02:15 -0400



On Sat, Sep 16, 2017 at 7:30 AM, Digvijay Yadav <yadavdg3@...29....> wrote:
Hi , in fix deposit command what doest it mean by region slab near 1.0 means ,i went through  the lammps mannual but it was not clear can someone tell me,thanks in advance .

​this is an impossible request.

i think the description for both the "region" keyword as well as the "near" keyword are concise and the concepts simple and straightforward.
so if you have difficulties here, you will first have to explain what it is that confuses you.
since i don't see anything confusing in the explanation for those two keywords, any explanation of what these do would be the same as what is already given in the documentation.

axel.


 

# sample surface deposition script for atoms

units                    lj
atom_style        atomic
boundary           p p f

lattice                  fcc 1.0
region                 box block 0 5 0 5 0 10
create_box        2 box
region                 substrate block INF INF INF INF INF 3
create_atoms    1 region substrate

group                   addatoms type 2
region                 mobile block 0 5 0 5 2 INF
group                  mobile region mobile

fix                        1 addatoms nve
fix                        2 mobile langevin 1.0 1.0 0.1 587283
fix                        3 mobile nve

region                 slab block 0 5 0 5 8 9
fix                        4 addatoms deposit 100 2 100 12345 region slab near 1.0 &
                            vz -1.0 -1.0
fix                       5 addatoms wall/reflect zhi EDGE



digvijay

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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.