Hi,

I am confused with pressure calculated from lammps itself and the method posted on the website (http://lammps.sandia.gov/doc/compute_pressure.html).

Value from lammps is lower than the latter one by roughly 1 magnitude, while the temperature is very close to what I desired.

Does that matter with **ghost atoms** in the codes, since I see the total atoms is counted by nall = nlocal + nghost.

Thanks for your attentions.

Best wishes,

Hi,

I am confused with pressure calculated from lammps itself and the method

posted on the website (LAMMPS Molecular Dynamics Simulator).

Value from lammps is lower than the latter one by roughly 1 magnitude, while

the temperature is very close to what I desired.

example please?

i see perfect agreement.

Does that matter with ghost atoms in the codes, since I see the total atoms

is counted by nall = nlocal + nghost.

this is not the total number of atoms, this is the total number of atoms

present in a given domain. the total number of atoms is:

\sum_{n} nall, with n being the number of domains.

axel.