[Pw_forum] Changelogs

Paolo Giannozzi giannozz at democritos.it
Thu Oct 9 09:12:33 CEST 2008


Dmitry Korotin wrote:

> It would be nice if I see something intermediate between data
> produced by cv2html.pl and data posted by you:

sure it would be nice, but it would also take a lot of time

> Anyway, I have seen this changelog for the first time in you e-mail.
> May be I should subscribe for some special mailing-list to receive it?

a not-so-special mailing list: pw_users at pwscf.org, containing
(sparse) announcements about quantum-espresso:
    http://www.democritos.it/pipermail/pw_users/
Mailing lists will move to a new server, by the way, so there
might be some "reshuffling" of mailing lists soon

> Some time ago I modified ESPRESSO-3.0 to implement construction of
> atomic-like Wannier-functions and generation of LDA Hamiltonian on
> Wannier basis set. My code was far from perfect but it works nice.
> Now I am trying to understand a need to rewrite my code for ESPRESSO-4.0.2
> and to realize the amount of changes that I should make for this
> purpose. I want to know how deep ESPRESSO source have changed.

The core of quantum-espresso doesn't change much and not often,
but v3.0 was released 3 years ago, so it is very likely that you
need to change something. It also depends a lot on how you wrote
your code and how tightly bound it is to the q-e code. Also note
that there is quite a lot of Wannier-related stuff in q-e now.

We hope to have soon in place a server where add-ons and
contributions to q-e are posted and developed. This should
solve problems like yours.

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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