On 25/12/10 02:12, Qin Qiao wrote:
Thanks a lot!
It says Nose-hoover coupling generates the correct canonical ensemble, and
that's the reason why I used it. I wonder whether v-rescale can also get
the
correct ensemble. Could you tell me?
As far as I know v-rescale should generate a correct ensemble.
On 25/12/10 12:40, Qin Qiao wrote:
> I'm not sure, since actually kinetic energy should have fluctuation,
and the
> v-rescaling may suppress the fluctuation..
>
(PLEASE don't top post!!)
Well, the thermostat author, who I happen to know, says it generates the
right ensemble. :) I'm not an expert so I can't say if it's true, but if
you like you can read the original papers, linked here:
http://sites.google.com/site/giovannibussi/Research/algorithms#TOC-A-stochastic-velocity-rescaling-the
cheers,
m.
--
Massimo Sandal, Ph.D.
http://devicerandom.org
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