OK! cheers
Layla 2012/8/13 Dmitry Korotin <dmitry at korotin.name> > Dear Layla, it would be perfect, but please don't do it right now. > I'll contact you when I'll be ready to start commiting. > > 2012/8/13 Layla Martin-Samos <lmartinsamos at gmail.com>: > > Dear Dimitry, maybe you will find more confortable for the porting if we > > create a dedicated branch? > > > > > > let me know > > > > best regards > > > > Layla > > > > 2012/8/13 Dmitry Korotin <dmitry at korotin.name> > >> > >> Dear Layla, > >> thank you for the answer. > >> I looks like I have the third or fourth situation and I will skype you > >> to consult. > >> Now my code (LDA+U in Wannier functions basis) is based on QE 4.3 > >> branch and I am looking for an ideal way to transfer it to 5.0 > >> codebase. > >> > >> 2012/8/8 Layla Martin-Samos <lmartinsamos at gmail.com>: > >> > Dear Dimitry, the "QE plugin system" is at the moment more something > >> > like an > >> > "automatic download, untar and compile" procedure, a part for the case > >> > of > >> > PLUMED and the future release of QMMM. We call "plugin" anything which > >> > is > >> > not related to "core routines" and is installed by some automatic > >> > procedure. > >> > There are different kinds of "plugins" inside QE at the moment: > >> > > >> > 1) like W90, WANT and YAMBO --> postprocessing-like codes, that are > >> > completely PW/PH routine independent. They just read some output. For > >> > making > >> > such kind of plugin, we just need an URL with the .tar.gz release and > we > >> > will add the necessary lines to the Makefiles in order to have an > >> > automatic > >> > installation. If you have write access to QE repository, you can > follow > >> > what > >> > has been already done in install/plugins_list and > >> > install/plugins_makefile. > >> > > >> > 2) Like NEB, TDDFPT ...--> codes that call some PW/PH routines as they > >> > are > >> > (without the need of patching lines ...). Same as in the 1) case. > >> > > >> > 3) Like PLUMED --> some routines of PW/PH need to be patched. In this > >> > case, > >> > we construct "empty routines" (like plugin_forces.f90 or > >> > plugin_initialization.f90). If you are in this case, we can have a > skype > >> > meeting to understand the best way for including your work. > >> > > >> > 4) something else ---> as in 3) we can have a skype meeting. > >> > > >> > let me know > >> > > >> > best regards > >> > > >> > Layla > >> > > >> > 2012/8/8 Dmitry Korotin <dmitry at korotin.name> > >> >> > >> >> Dear QE Developers, > >> >> is there some guide or instruction or specification of new QE plugins > >> >> system? > >> >> The idea of plugins is brilliant! I want to transform my code into > >> >> plugin but need some info about how it is organized. > >> >> > >> >> (Of course I can check existing plugins and do a similar thing but it > >> >> is inconvenient way). > >> >> > >> >> Thank you in advance. > >> >> -- > >> >> > >> >> Best regards, > >> >> Dr. Dmitry Korotin > >> >> > >> >> Institute of Metal Physics > >> >> S. Kovalevskaya, 18 > >> >> 620990 Yekaterinburg > >> >> Russia > >> >> _______________________________________________ > >> >> Pw_forum mailing list > >> >> Pw_forum at pwscf.org > >> >> http://www.democritos.it/mailman/listinfo/pw_forum > >> > > >> > > >> > > >> > _______________________________________________ > >> > Pw_forum mailing list > >> > Pw_forum at pwscf.org > >> > http://www.democritos.it/mailman/listinfo/pw_forum > >> > > >> > >> > >> > >> -- > >> Best regards, > >> Dr. Dmitry Korotin > >> > >> Institute of Metal Physics > >> S. Kovalevskaya, 18 > >> 620990 Yekaterinburg > >> Russia > >> _______________________________________________ > >> Pw_forum mailing list > >> Pw_forum at pwscf.org > >> http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > -- > ? ?????????, > ??????? ??????? > > Best regards, > Dr. Dmitry Korotin > > Institute of Metal Physics > S. Kovalevskaya, 18 > 620990 Yekaterinburg > Russia > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120813/fc894b9a/attachment-0001.htm