OK! <br><br>cheers<br><br>Layla<br><br><div class="gmail_quote">2012/8/13 Dmitry Korotin <span dir="ltr"><<a href="mailto:dmitry@korotin.name" target="_blank">dmitry@korotin.name</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Layla, it would be perfect, but please don't do it right now.<br>
I'll contact you when I'll be ready to start commiting.<br>
<br>
2012/8/13 Layla Martin-Samos <<a href="mailto:lmartinsamos@gmail.com">lmartinsamos@gmail.com</a>>:<br>
<div><div class="h5">> Dear Dimitry, maybe you will find more confortable for the porting if we<br>
> create a dedicated branch?<br>
><br>
><br>
> let me know<br>
><br>
> best regards<br>
><br>
> Layla<br>
><br>
> 2012/8/13 Dmitry Korotin <<a href="mailto:dmitry@korotin.name">dmitry@korotin.name</a>><br>
>><br>
>> Dear Layla,<br>
>> thank you for the answer.<br>
>> I looks like I have the third or fourth situation and I will skype you<br>
>> to consult.<br>
>> Now my code (LDA+U in Wannier functions basis) is based on QE 4.3<br>
>> branch and I am looking for an ideal way to transfer it to 5.0<br>
>> codebase.<br>
>><br>
>> 2012/8/8 Layla Martin-Samos <<a href="mailto:lmartinsamos@gmail.com">lmartinsamos@gmail.com</a>>:<br>
>> > Dear Dimitry, the "QE plugin system" is at the moment more something<br>
>> > like an<br>
>> > "automatic download, untar and compile" procedure, a part for the case<br>
>> > of<br>
>> > PLUMED and the future release of QMMM. We call "plugin" anything which<br>
>> > is<br>
>> > not related to "core routines" and is installed by some automatic<br>
>> > procedure.<br>
>> > There are different kinds of "plugins" inside QE at the moment:<br>
>> ><br>
>> > 1) like W90, WANT and YAMBO --> postprocessing-like codes, that are<br>
>> > completely PW/PH routine independent. They just read some output. For<br>
>> > making<br>
>> > such kind of plugin, we just need an URL with the .tar.gz release and we<br>
>> > will add the necessary lines to the Makefiles in order to have an<br>
>> > automatic<br>
>> > installation. If you have write access to QE repository, you can follow<br>
>> > what<br>
>> > has been already done in install/plugins_list and<br>
>> > install/plugins_makefile.<br>
>> ><br>
>> > 2) Like NEB, TDDFPT ...--> codes that call some PW/PH routines as they<br>
>> > are<br>
>> > (without the need of patching lines ...). Same as in the 1) case.<br>
>> ><br>
>> > 3) Like PLUMED --> some routines of PW/PH need to be patched. In this<br>
>> > case,<br>
>> > we construct "empty routines" (like plugin_forces.f90 or<br>
>> > plugin_initialization.f90). If you are in this case, we can have a skype<br>
>> > meeting to understand the best way for including your work.<br>
>> ><br>
>> > 4) something else ---> as in 3) we can have a skype meeting.<br>
>> ><br>
>> > let me know<br>
>> ><br>
>> > best regards<br>
>> ><br>
>> > Layla<br>
>> ><br>
>> > 2012/8/8 Dmitry Korotin <<a href="mailto:dmitry@korotin.name">dmitry@korotin.name</a>><br>
>> >><br>
>> >> Dear QE Developers,<br>
>> >> is there some guide or instruction or specification of new QE plugins<br>
>> >> system?<br>
>> >> The idea of plugins is brilliant! I want to transform my code into<br>
>> >> plugin but need some info about how it is organized.<br>
>> >><br>
>> >> (Of course I can check existing plugins and do a similar thing but it<br>
>> >> is inconvenient way).<br>
>> >><br>
>> >> Thank you in advance.<br>
>> >> --<br>
>> >><br>
>> >> Best regards,<br>
>> >> Dr. Dmitry Korotin<br>
>> >><br>
>> >> Institute of Metal Physics<br>
>> >> S. Kovalevskaya, 18<br>
>> >> 620990 Yekaterinburg<br>
>> >> Russia<br>
>> >> _______________________________________________<br>
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>> ><br>
>> ><br>
>> ><br>
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>> ><br>
>><br>
>><br>
>><br>
>> --<br>
>> Best regards,<br>
>> Dr. Dmitry Korotin<br>
>><br>
>> Institute of Metal Physics<br>
>> S. Kovalevskaya, 18<br>
>> 620990 Yekaterinburg<br>
>> Russia<br>
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><br>
><br>
><br>
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<br>
<br>
<br>
--<br>
</div></div>С уважением,<br>
Дмитрий Коротин<br>
<div class="HOEnZb"><div class="h5"><br>
Best regards,<br>
Dr. Dmitry Korotin<br>
<br>
Institute of Metal Physics<br>
S. Kovalevskaya, 18<br>
620990 Yekaterinburg<br>
Russia<br>
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