LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] compute temp without removing the bias
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

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

From: Mostafa Nejatolahi <mostafa.nejatolahi@...24...>
Date: Mon, 10 Jul 2017 21:06:43 +0430

Dear Axel,

According to sec. 6.16 of the manual, "compute temp/region" removes the bias velocity. I could not see any option to force this command to calculate the temp without removing the bias.


Mostafa Nejatolahi
Ph.D. student at Department of Mechanical Engineering
Shiraz University 

On Mon, Jul 10, 2017 at 3:40 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:

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?




Check out the vibrant tech community on one of the world's most
engaging tech sites,!
lammps-users mailing list

Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.