barostat and thermostat

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#1

Hi all

Does anybody know what’s the criterion for choosing a
barostat and thermostat?

I’m dealing with a fluid/fluid and fluid/rock system.

Could anybody introduce me an illustrative reference?

Bests

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#2

Hi all

Does anybody know what's the criterion for choosing a
barostat and thermostat?

I'm dealing with a fluid/fluid and fluid/rock system.

This is best answered by a literature search. LAMMPS implements a variety
of thermodynamic ensembles, but the choice of which ensemble to use depends
on the specifics of your system and of the properties you are trying to
compute.