[Pw_forum] plumed for ESPRESSO-4.2 available

[Stefano Baroni]

I know nothing about plumed, but that it has nothing to do with electronic structure. so, the answer is YES, as long as QE can do molecular dynamics with the system of your choice. SB

On Jul 3, 2010, at 3:17 AM, Zhong-Li Liu wrote:

> Dear Layla,
> 
>    Can PLUMED be used for metals systems now or will this be added in the future?
> 
> Bests
> 
> Liu
> 
> 
> 
> On Fri, Jul 2, 2010 at 8:50 PM, <marsamos at democritos.it> wrote:
> 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
> 
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> 
> 
> -- 
> Dr. Liu, Luoyang Normal University, Luoyang, China
> E-mail: zl.liu.caep at gmail.com
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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