Dear Wang,
you can either register an account on http://gitlab.com, create a fork
of the QE project <https://gitlab.com/QEF/q-e>, upload your changes to
the fork and then create a merge request in the original QE repository,
to incorporate your changes, as explained here:
<https://docs.gitlab.com/ee/gitlab-basics/add-merge-request.html>
Alternatively, you can send the source files to the qe-developers
mailing list, and ask someone to incorporate your changes.
The first method has the advantage that your name appears officially in
the repository history, the second method has the advantage that you
save some work, especially the work of getting your code up to date, but
it is not 100% guaranteed that someone has the time right now to take
your request.
cheers
On 26/03/18 21:29, Jingyang Wang wrote:
Dear QE developers,
Since I realized some time ago that the problem of virtual.x not being
able to read the UPF v2 format has been there for a long time, and
nobody seemed to have the time or need to fix it, I decided to do it
myself. The updated version is named "virtual_v2.x"; as the name
suggests, it properly generates a virtual crystal pseudopotential in UPF
v2 format from two UPF v2 pseudopotentials. The nice feature about this
code is that, instead of using its own independent read and write
routine in /upftools, it uses the standard modules "upf_module" and
"write_upf_v2" in /Modules. I have compiled the code with QE v5.2.0 and
successfully generated the correct pseudopotential file, although there
seems to be some kind of problem for later versions of QE (not sure what
it is). I'm wondering if there is a way to incorporate this code to the
latest QE depository? Thank you very much!
Best regards,
Jingyang Wang
Jingyang Wang
Ph.D. candidate
School of Applied and Engineering Physics
Cornell University
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