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


From: Steve Plimpton <sjplimp@...24...>
Date: Mon, 7 Aug 2017 07:54:38 -0600

A compute (or fix, etc) stays active thru multiple
runs until you issue an uncompute command
at some point.

Steve

On Sat, Aug 5, 2017 at 2:11 PM, Nader Ameli <nader.mechanic@...24...> wrote:

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,

Nader


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