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[lammps-users] dump changes in potential energy
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[lammps-users] dump changes in potential energy

From: "Nasiri, Samaneh" <samaneh.nasiri@...4839...>
Date: Thu, 30 Nov 2017 16:52:52 +0000

Dear all,

I was wondering if there is a way to dump changes in potential energy via dump command. For example I need to dump the change of potential energy during the tensile test on each atom(pe/atom for 18000 atoms) not the absolute potential energy.

Thanks in advance,

Samaneh Nasiri, M.Sc.
Doctorate Candidate at Institute for Materials Simulation (WW8)

Department of Materials Science
Friedrich-Alexander-University Erlangen-Nürnberg

Dr.-Mack-Str. 77, 90762 Fürth, Germany
Room: 2.024

phone: +49 911 65078-65065
fax:   +49 911 65078-65066