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Re: [lammps-users] Total energy
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Re: [lammps-users] Total energy

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sun, 15 Oct 2017 08:20:16 -0400

On Sat, Oct 14, 2017 at 10:49 PM, Hossein Geraili <geraili.hsn@...24...> wrote:
> Dear all,
> Is lammps calculate total energy( non-ideal + ideal) or is it just non-ideal
> part of total energy? I mean presumabely, of density get close to zero total
> energy( I mean its average over long period of time) would be zero or ideal
> contribution of total energy?

your e-mail makes little sense. neither in terms of physics nor in
terms of grammar.

total energy in LAMMPS (thermo keywords "etotal") is potential energy
("pe") plus kinetic energy ("ke").
i have *never* heard anybody speak in this context of an "ideal" or
"non-ideal" energy (and neither seems to have google).
so if want some meaningful response, i suggest you start by explaining
it common terms, what you are asking about.
if you can get somebody with a better grasp on english grammar to
review your posts, it will increase the chances that people will
understand what you are asking about (and not force them to guess).


> Best
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Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.