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<div class="moz-cite-prefix">a possible contribution suggested by
Timo Thonhauser is the inclusion of the vdW-DF functional family
to the CP code. I guess it should not be difficult but needs to be
done.<br>
<br>
stefano<br>
<br>
<br>
On 10/02/2012 08:43 AM, Stefano de Gironcoli wrote:<br>
</div>
<blockquote cite="mid:506A8CFB.4090206@sissa.it" type="cite">*=========================================**
<br>
**
<br>
**- OPEN INVITATION TO CONTRIBUTE -**
<br>
**
<br>
**TO: All users and developers who would like to share their
independent**
<br>
**local developments of tools and features written for Quantum
ESPRESSO**
<br>
**package with the community. **
<br>
**=========================================*
<br>
<br>
Dear All,
<br>
<br>
Quantum ESPRESSO (QE) is a very successful initiative thanks to
the effort
<br>
and contribution of you, as developers and users, which we
gratefully
<br>
acknowledge. Our community and software, in the spirit of open
source,
<br>
has grown outside the borders of its initial creation.
<br>
We are excited by the news of several independent developments,
analysis
<br>
tools and new features that have been developed in excellent
research
<br>
groups scattered around the globe.
<br>
<br>
However, we have come to realize that some of these developments,
<br>
although they would be of great value to the community, have not
found
<br>
their way into the current distribution of QE package, and
therefore do
<br>
not get their deserved visibility and recognition.
<br>
<br>
One reason for this may be the legitimate interest of a group to
keep
<br>
these developments private. We believe, however, that a more
common
<br>
reason is that these features have been implemented, often with
some
<br>
significant effort, in an outdated QE version: porting them to the
<br>
current version would require a considerable effort. This,
however,
<br>
forces the potentially contributing group to use an outdated QE
version,
<br>
thus preventing them from benefiting from new features and bug
fixes.
<br>
We believe this is a problem that needs to be addressed.
<br>
<br>
Of course, there is no easy solution but we would like to start
exploring
<br>
some possible options. As a first practical action, we would like
<br>
to compile an inventory of independent developments, in the form
of
<br>
features/analysis tools/developments, implemented in some version
of QE,
<br>
that would be happily shared if the "porting issue" could be
solved.
<br>
<br>
The main purpose of this message is therefore to invite all
potentially
<br>
interested contributors to send a statement of their possible
contribution
<br>
to the address <a class="moz-txt-link-abbreviated" href="mailto:q-e-developers@qe-forge.org">q-e-developers@qe-forge.org</a>.
<br>
<br>
Everybody willing to be involved (or to be kept updated) in this
process
<br>
is welcome to subscribe to the q-e-developers mailing list
<br>
(<a class="moz-txt-link-freetext" href="http://www.qe-forge.org/mailman/listinfo/q-e-developers">http://www.qe-forge.org/mailman/listinfo/q-e-developers</a>, see also
<br>
CONTACTS section of <a class="moz-txt-link-abbreviated" href="http://www.quantum-espresso.org">www.quantum-espresso.org</a>).
<br>
<br>
Best regards,
<br>
<br>
Stefano de Gironcoli, Paolo Giannozzi, Layla MartinSamos, Emine
Kucukbenli, Stefano Baroni
<br>
<br>
<br>
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<br>
<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>
</pre>
</blockquote>
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