system
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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