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Re: [lammps-users] fix_modify
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Re: [lammps-users] fix_modify

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 25 May 2018 18:15:53 -0400

On Fri, May 25, 2018 at 3:46 PM, Zohreh Ahadi <zohreh.ahadi@...36.....24...> wrote:
Dear all 

Thanks for your attention.I simulate rigid water Tip4p/2005 inside Mos2 nanotube which I wanted induced heat gradient by considering cold and hot region.
 my question is about below thermostat  for cold and hot is correct?

​sorry, but this mailing list is not an input validation service. if you want to make certain that your input is correct, please do what everybody else does and set up a (simple enough) simulation ​where you know the results and then check how your input setting correspond with the expected result.

what is means  fix_modify?

​please look it up in the LAMMPS manual. all that can be said here is already written there.


region           R1 block INF INF INF INF ${x1} ${x2} units box 
compute        T1 all temp/region R1
fix                 N  all  langevin 310 310 100 12345 tally yes 
fix_modify      N  temp T1  


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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.