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Re: [lammps-users] How to make thermostat temperature change with time?
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Re: [lammps-users] How to make thermostat temperature change with time?


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 2 Aug 2017 22:08:51 -0400



On Tue, Aug 1, 2017 at 11:18 PM, Au3 <474172272@...1204...> wrote:
Dear All,

I would like to oscillate the thermostat temperature during the simulation.

The fix nvt command allows temperature to be linearly changed from Tstart to Tstop, but it takes only two float numbers instead of variables. Is there a way that I can define a variable to let the thermostat temperature change non-linearly?

​it is not possible with fix nvt, but some other thermostat fixes do support this (i don't recall of the top of my head which ones). just replace fix nvt with nve and such a thermostat.

axel.​

 

Thank you!

--John



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