[Pw_forum] QE 6.1 and PLUMED 2

Paolo Giannozzi p.giannozzi at gmail.com
Sun Mar 5 22:22:56 CET 2017


As explained some time ago (see e..g.
https://www.mail-archive.com/pw_forum@pwscf.org/msg29058.html),
interfacing QE with PLUMED v.2.x requires some significant effort
(where "significant" = "nobody is going to do it without a good
reason")

Paolo

On Sat, Mar 4, 2017 at 7:24 PM, Neven Golenić <nevensky at hdd.hr> wrote:
> Hi,
>
> I was wondering if the QE team had any plans to update the newest QE code
> (6.1) to work with plumed 2? PLUMED greatly extends the possibilities of QE,
> especially in the region of free energy calculations, therefore it seems
> like a worthy update…?
>
>
>
> Regards,
> Nev
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222




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