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[lammps-users] Replication in compute command
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[lammps-users] Replication in compute command

From: Nader Ameli <nader.mechanic@...24...>
Date: Sun, 6 Aug 2017 00:41:37 +0430

Dear all,

My script consists of 5 parts: 2 minimizations and 3 main runs.

The question is: if I want to have potential energy in each of these 5 parts, should I use “compute command” 5 times among these parts? Or, is it enough to define a compute command in the beginning and use it in 5 separate “dump”?


Thanks in advance,