how to make the input script for binary lj particles?

atreyee_banerjee · September 15, 2011, 9:26am

hi,
i am a new user of lammps.I am now facing a problem. How to create input script for binary lj and how to dump the velocity?If anyone knows please help me.
Atreyee

Andrew_Jewett · September 15, 2011, 1:23pm

binary lj?

As for the velocity, I could be wrong, but it seems that you would use
the "dump" command with the "custom" style, and you would include "vx
vy vz" in the list of arguments following the file name. Check out:
http://lammps.sandia.gov/doc/dump.html

Priyank · September 15, 2011, 1:24pm

Hi,
You can use dump command to write down the velocity in a file.

dump vel1 all custom 50000 vel12x800.dump id vx vy vz

Check the doc page for dump and you will know what is what.
Enjoy Priyank On 9/15/2011 5:26 AM, atreyee banerjee wrote:

sjplimp · September 15, 2011, 2:49pm

I assume binary LJ means 2 particle types (different sigma/eps).

Use create_atoms to create a lattice of atoms. Use the group and set
commands to change some of them to type 2. Use the pair_style
and pair_coeff commands to set the sigma/eps you want.

Steve