[Pw_forum] plumed for ESPRESSO-4.2 available

[Stefano Baroni]

as far as I understand, plumed is supposed to replave the built-in metadynamics capabilities of QE. the former will hopefully continued to be maintained in the future by a dedicated group of developers, while the latter is probably at a dead end.
am I correct, Layla?
see: http://merlino.mi.infn.it/~plumed/PLUMED/Home.html
SB

On Jul 3, 2010, at 8:10 AM, Huiqun Zhou wrote:

> Layla,
> 
> Sorry for my ignorance about PLUMED. Could you please explain a little
> about the differences between metadynamics in PLUMED and that in pwscf?
> 
> Any reference papers are welcome.
> 
> 
> Huiqun Zhou
> @Earth Sciences, Nanjing University, China
> 
> ----- Original Message ----- 
> From: <marsamos at democritos.it>
> To: <pw_forum at pwscf.org>; <pw_users at pwscf.org>
> Sent: Friday, July 02, 2010 8:50 PM
> Subject: [Pw_forum] plumed for ESPRESSO-4.2 available
> 
> 
>> Dear All, the PLUMED plug-in for metadynamic calculations has been 
>> adapted to Quantum ESPRESSO-4.2 and is available at
>> 
>> http://qe-forge.org/frs/?group_id=10
>> 
>> There is also an additional README (README.plumed.xlc_compiler) for 
>> those that uses ibm machines with xlc compiler.
>> 
>> bests
>> 
>> 
>> Layla
>> 
>> -- 
>> Dr. L. Martin-Samos
>> tel. +39 040 3787 429
>> CNR-DEMOCRITOS and
>> International School for Advanced Studies (ISAS-SISSA)
>> via Beirut 2-4
>> 34151 Trieste Italy
>> 
>> ----------------------------------------------------------------
>> This message was sent using IMP, the Internet Messaging Program.
>> 
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://www.democritos.it/mailman/listinfo/pw_forum
>> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html







-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100703/29c308dc/attachment.html>