[CP2K:4373] FORCE_MIXING and QM TEMPERATURE

Teodoro Laino teodor... at gmail.com
Fri May 3 09:38:12 CEST 2013


Just an update to close this thread:

Noam sent a patch - which is in the SVN. The ticket is now closed.
Teo

On Apr 11, 2013, at 4:28 PM, Teodoro Laino <teodor... at gmail.com> wrote:

> I've just opened a ticket so that this issue will not get lost.
> You can have a look at the status of the ticket on this page: 
> 
> https://sourceforge.net/p/cp2k/bugs/
> 
> cheers
> 
> On Apr 11, 2013, at 4:23 PM, Teodoro Laino <teodor... at gmail.com> wrote:
> 
>> OK - thanks for reporting.
>> we will look into that.
>> 
>> cheers
>> teo
>> 
>> On Apr 11, 2013, at 4:22 PM, Pietro Vidossich <vi... at klingon.uab.es> wrote:
>> 
>>> yes. pietro 
>>> 
>>> 
>>> On Thu, 11 Apr 2013 16:18:35 +0200, Teodoro Laino wrote 
>>> > Are you doing adaptive QMMM? 
>>> > 
>>> > On Apr 11, 2013, at 4:11 PM, Pietro Vidossich <vi... at klingon.uab.es> wrote: 
>>>> rebuilding the QM/MM calculation
>>> 
>>> > 
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> 

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