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Re: [lammps-users] using command
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Re: [lammps-users] using command


From: Stefan Paquay <stefanpaquay@...24...>
Date: Wed, 6 Sep 2017 10:57:20 -0400

If, on the other hand, by "when to use" you mean "where in the script should I put them", I recommend looking at some of the examples in the lammps/examples directory.

On Wed, Sep 6, 2017 at 10:45 AM, Steve Plimpton <sjplimp@...24...> wrote:
Fix langevin is a thermostat.  So is the T part of fix npt,
or just fix nvt.  They are different kinds of thermostats.
Nose/Hoover vs Langevin.  There is no simple
rule for when one is right vs wrong.

Steve

On Wed, Sep 6, 2017 at 2:34 AM, Digvijay Yadav <yadavdg3@...24...> wrote:
Dear Lammps users ,
                                   can you tell when to use fix langevin ,fix npt  i have gone through the documentation of both of them but i am not getting clear picture about it.




thanks and regards
Digvijay

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