[CP2K:760] nose thermostat

Teodoro Laino teodor... at gmail.com
Tue Mar 11 23:43:44 UTC 2008

Dear Diederica,

I wanted to have a look at the problem you mentioned (i.e. different  
energies/forces for two different versions).
I downaloaded a cp2k version dated 2007-04-27 and this does not run  
your example. It gives a segmentation fault.

Can you please post the line of the output file containing the "Last  
CVS Entry" .. I want just to be sure that it was really 27 April 2007.
(From what I reproduced it cannot be..)

On 10 Mar 2008, at 18:54, Diederica wrote:

> I used an older version of cp2k (2007-04-27) for the pm3 simulations
> as the molecule fell apart using the more recent version of
> 2008-01-22.

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