2D LJ fluid

Hi,

   I am simulating 2D LJ fluid by taking ellipsoidal molecule. I am using
the following lattice command:

lattice sq 0.05

But in output file it is showing that lattice spacing in x,y,z = 4.47214
4.47214 4.47214.

Is it making a 2D simulation or 3D?

These are the commands i am using for defining atoms

lattice sq 0.05
region box block 0 20 0 20 0 1.0
create_box 1 box

create_atoms 1 box

Thanking you.
Regards,
Paritosh Mahata
IIT kanpur, India

Hi,

   I am simulating 2D LJ fluid by taking ellipsoidal molecule. I am using
the following lattice command:

lattice sq 0.05

But in output file it is showing that lattice spacing in x,y,z = 4.47214
4.47214 4.47214.

Is it making a 2D simulation or 3D?

the lattice command is just to generate a
grid of points to simplify system building
with create_atoms, thus the 3d version
works just as well for 2d.

These are the commands i am using for defining atoms

lattice sq 0.05
region box block 0 20 0 20 0 1.0
create_box 1 box

create_atoms 1 box

the best way to find out is to try it out
and monitor the resulting thermodynamic
data and visualize the resulting trajectory.

nobody can give you a "yay" or "nay" based
on a few arbitrary lines of lammps script commands.

axel.

If you are using LJ units, then the 0.05 is not the lattice
spacing but the reduced density. See the lattice doc
page for details.

Steve