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<div class="moz-cite-prefix">I have already presented a couple of
years ago the implementation of the Environ module, but if you
think it would be useful I can talk about its current release and
its applications. Maybe it would be useful to discuss it in the
context of plugins to pw, as it was probably done one of the last
times by Layla. <br>
<br>
Best,<br>
<br>
Oliviero<br>
<br>
On 11/27/2014 10:09 AM, Michele Ceriotti wrote:<br>
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cite="mid:CAJfQ-KdARjjszRj0ubko6TrOPz4yn7st_vUqxQ+vuMaifdf6Mg@mail.gmail.com"
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<div>I am trying to see if I can come over to Trieste in that
period. If I manage, would you like to discuss about including
a path integral (more in general, fancy MD) interface in
q-Espresso: it is now in the official versions of CP2K,
FHI-AIMS, LAMMPS, and the patch for Siesta is being reviewed
by José Soler, so it would be nice if it also got into
official QE. <br>
<br>
</div>
Best,<br>
Michele<br>
<br>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On 27 November 2014 at 09:28, Fabio
Affinito <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:f.affinito@cineca.it" target="_blank">f.affinito@cineca.it</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">If you
like, I can present the activity done on quantum espresso
within the intel parallel computing center activity.<br>
<br>
Ciao,<br>
<br>
Fabio<br>
<br>
----- Messaggio originale -----<br>
> Da: "Paolo Giannozzi" <<a moz-do-not-send="true"
href="mailto:paolo.giannozzi@uniud.it">paolo.giannozzi@uniud.it</a>><br>
> A: "Filippo Spiga" <<a moz-do-not-send="true"
href="mailto:spiga.filippo@gmail.com">spiga.filippo@gmail.com</a>><br>
> Cc: <a moz-do-not-send="true"
href="mailto:q-e-developers@qe-forge.org">q-e-developers@qe-forge.org</a>,
"foundation" <<a moz-do-not-send="true"
href="mailto:foundation@quantum-espresso.org">foundation@quantum-espresso.org</a>><br>
> Inviato: Mercoledì, 26 novembre 2014 17:49:22<br>
> Oggetto: Re: [Q-e-developers] Developers' meeting<br>
<div class="HOEnZb">
<div class="h5">><br>
> On Tue, 2014-11-25 at 18:46 +0000, Filippo Spiga
wrote:<br>
><br>
> > shall we gather possible topics and
contributions for the meeting?<br>
><br>
> sure. I'll do the usual introduction on what has
been done and what<br>
> hasn't and what should be done ...<br>
><br>
> P.<br>
><br>
> > I do suggest this time to short the duration
of the presentations<br>
> > (e.g. 20min max each) and focus on open
discussion around two or<br>
> > three very specific topics. Speaking about
myself, I am happy to<br>
> > present what I am doing for the GPU port plus
another 20 minutes<br>
> > related to my git mirror, QE buildbot and a
new test-suite (still<br>
> > in progress).<br>
> ><br>
> > Cheers,<br>
> > Filippo<br>
> ><br>
> > On Nov 17, 2014, at 5:49 PM, Paolo Giannozzi<br>
> > <<a moz-do-not-send="true"
href="mailto:paolo.giannozzi@uniud.it">paolo.giannozzi@uniud.it</a>>
wrote:<br>
> > > After a first inquiry, it looks like the
most suitable date<br>
> > > for the next developers' meeting is
Wednesday Jan.14 2015,<br>
> > > just before the traditional "Total
Energy" in Trieste<br>
> > > (unless there are many suggestions of
different dates)<br>
> > ><br>
> > > Paolo<br>
> ><br>
> > --<br>
> > Mr. Filippo SPIGA, M.Sc.<br>
> > <a moz-do-not-send="true"
href="http://filippospiga.info" target="_blank">http://filippospiga.info</a>
~ skype: filippo.spiga<br>
> ><br>
> > «Nobody will drive us out of Cantor's
paradise.» ~ David Hilbert<br>
> ><br>
> > *****<br>
> > Disclaimer: "Please note this message and any
attachments are<br>
> > CONFIDENTIAL and may be privileged or
otherwise protected from<br>
> > disclosure. The contents are not to be
disclosed to anyone other<br>
> > than the addressee. Unauthorized recipients
are requested to<br>
> > preserve this confidentiality and to advise
the sender immediately<br>
> > of any error in transmission."<br>
> ><br>
> ><br>
><br>
> --<br>
> Paolo Giannozzi, Dept.
Chemistry&Physics&Environment,<br>
> Univ. Udine, via delle Scienze 208, 33100 Udine,
Italy<br>
> Phone <a moz-do-not-send="true"
href="tel:%2B39-0432-558216" value="+390432558216">+39-0432-558216</a>,
fax <a moz-do-not-send="true"
href="tel:%2B39-0432-558222" value="+390432558222">+39-0432-558222</a><br>
><br>
> _______________________________________________<br>
> Q-e-developers mailing list<br>
> <a moz-do-not-send="true"
href="mailto:Q-e-developers@qe-forge.org">Q-e-developers@qe-forge.org</a><br>
> <a moz-do-not-send="true"
href="http://qe-forge.org/mailman/listinfo/q-e-developers"
target="_blank">http://qe-forge.org/mailman/listinfo/q-e-developers</a><br>
><br>
<br>
</div>
</div>
<span class="HOEnZb"><font color="#888888">--<br>
"When you are solving a problem, don’t worry. Now, after
you have solved the problem, then that’s the time to
worry." Richard Feynman<br>
<br>
Fabio Affinito, PhD<br>
SuperComputing Applications and Innovation Department<br>
CINECA - via Magnanelli, 6/3, 40033 Casalecchio di Reno
(Bologna) - ITALY<br>
Tel: <a moz-do-not-send="true"
href="tel:%2B39%20051%206171794" value="+390516171794">+39
051 6171794</a> Fax: <a moz-do-not-send="true"
href="tel:%2B39%20051%206132198" value="+390516132198">+39
051 6132198</a><br>
</font></span>
<div class="HOEnZb">
<div class="h5"><br>
_______________________________________________<br>
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href="http://qe-forge.org/mailman/listinfo/q-e-developers"
target="_blank">http://qe-forge.org/mailman/listinfo/q-e-developers</a><br>
</div>
</div>
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</div>
<br>
<br clear="all">
<br>
-- <br>
<div class="gmail_signature">-------------------------------------------------------------------------------------------<br>
Prof. Michele Ceriotti <br>
Laboratory of Computational Science and Modelling (COSMO)<br>
MXG 338 (Bâtiment MXG)<br>
Station 12<br>
CH-1015 Lausanne<br>
--------------------------------------------------------------------------------------------</div>
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<pre wrap="">_______________________________________________
Q-e-developers mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Q-e-developers@qe-forge.org">Q-e-developers@qe-forge.org</a>
<a class="moz-txt-link-freetext" href="http://qe-forge.org/mailman/listinfo/q-e-developers">http://qe-forge.org/mailman/listinfo/q-e-developers</a>
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