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[lammps-users] Per atom temperature
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[lammps-users] Per atom temperature


From: Nader Ameli <nader.mechanic@...24...>
Date: Mon, 14 Aug 2017 13:33:13 +0430

Dear all:

I am trying to obtain temperature distribution of my system (actually temperature/atom).

According to the previous discussions in the mail list, I found that researchers are using different ways around this issue:

   1- Defining a constant parameter to the “compute ke/atom”;

   2- Using “compute temp/chunk” command;

   3- Using “compute temp/profile” command.

Nevertheless, I cannot manage to find the proper procedure. I would be thankful to receive your guides.

 

Many thanks,

Nader