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Re: [lammps-users] compute temp without removing the bias
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Re: [lammps-users] compute temp without removing the bias


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 10 Jul 2017 07:10:43 -0400



On Sat, Jul 8, 2017 at 5:47 PM, Mostafa Nejatolahi <mostafa.nejatolahi@...24...> wrote:
Dear all,


I am considering if someone knows how I could compute the temperature of a group or a region without removing the bias (velocity of com) from the velocities. Since I wanna use the computed temperature in a fix_modify command, it is necessary to use a "temp" calculating "compute" like compute temp or compute temp/region.

​so why don't you use compute temp/region?

axel.​

 


Regards

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.