[QE-developers] Plumed for Quantum ESPRESSO v.6.5

[Paolo Giannozzi]

Dear Bernd

I don't think the parts of QE where the patch is applied have changed much,
so the current patch may still work with little or no changes. It works
however only for the old version of PLUMED (v.1.3 I think). A patch for the
new version of PLUMED has never been done, to the best of my knowledge. The
logic of PLUMED has changed a lot from v.1 to v.2 so it is not that simple.
Of course we are ready to help anybody who is interested in doing that.

Please do not write to me but to users at lists.quantum-espresso.org (for
general questions on QE) or to developers at lists.quantum-espresso.org (for
more technical questions addressed to developers)

Paolo

On Wed, Dec 11, 2019 at 1:00 PM Bernd Goldfuss <goldfuss at uni-koeln.de>
wrote:

> Dear Paolo,
>
> many thanks for the new QE-version!
>
> Do you know when there will be an
> PLUMED-Patch available?
>
> The last patch was for QE-6.2.
>
> Many thanks!
> Bernd
>
>
>
>
>
>
>
> Zitat von Paolo Giannozzi <p.giannozzi at gmail.com>:
>
> > Sorry, the correct link is the following:
> > https://github.com/QEF/q-e/releases/tag/qe-6.5
> >
> > PG
> >
> > On Tue, Dec 10, 2019 at 9:23 AM Paolo Giannozzi <p.giannozzi at gmail.com>
> > wrote:
> >
> >> The new Quantum ESPRESSO version 6.5 is available for download from
> >> GitHub (seehttps://github.com/QEF/q-e/releases/tag/qe-6.5
> >> <https://github.com/QEF/q-e/releases/tag/qe-6.4.1>) and GitLab.
> >>
> >> --
> >> 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
> >>
> >>
>
>
>
>

-- 
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20191211/c1809862/attachment.html>