[Q-e-developers] IMPORTANT: QE Open Invitation to Contribute

[Dmitry Korotin]

Dear QE-developers,
I will contribute with LDA+U on Wannier functions basis (JPCM 24 (2012)
415603) and constrained LDA (for Hubbard U calculation) on WFs basis
procedure. My code is based on 4.3.0 version. I am trying to transfer it to
5.0 source base at the moment.

I am totally support the suggestion of Samuel concerning VCS like git or
mercurial. And QE move to github or bitbucked looks very attractive for me.

-- 
Best regards,
Dr. Dmitry Korotin

Institute of Metal Physics
S. Kovalevskaya, 18
620990 Yekaterinburg
Russia

2012/10/2 Stefano de Gironcoli <degironc at sissa.it>

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 significant effort, in an outdated QE version: porting them to the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 forces the potentially contributing group to use an outdated QE version,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