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 (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.
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.