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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: Stefan Paquay <stefanpaquay@...24...>
Date: Wed, 2 Aug 2017 23:41:39 -0400

Fix langevin definitely supports it.

On Aug 2, 2017 10:09 PM, "Axel Kohlmeyer" <akohlmey@...24...> wrote:

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.



Thank you!


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

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