Apparently this was stuck in my drafts folder
On Fri, Mar 9, 2018 at 7:30 AM, B Adarsh wrote:
> Including support for Quantum Espresso with Avogadro is not quite an
> idealistic thing to do at the moment, as it will have the same problem as
> faced by VASP, i.e. apart from the positions of the v
No worries, I don't know VASP input and so can't really comment on that. I
thought you were looking at other QM codes too? There are a number of codes
I would love to integrate with, and ways that we might extend input
generation, filters/workflows, or other aspects of Avogadro. You could work
on c
It is not for the generators, it was for some of the data operations (at
least as I saw it) in Python, i.e. let Python modify the molecule in
various ways.
On Thu, Mar 1, 2018 at 11:00 AM, B Adarsh wrote:
> I have a small doubt.
> I came across another script "
> *avogadrolibs/avogadro/qtplugins
> We can come up with some fuller solutions together, it doesn't all need to be
> on you.
I would recommend we use Qt::QStandardPaths
http://doc.qt.io/qt-5/qstandardpaths.html
I believe the plugin loading system currently uses
QStandardPaths::AppLocalDataLocation:
C:/ProgramData/
~/.local/share
On Wed, Feb 28, 2018 at 2:28 PM, Geoffrey Hutchison <
geoff.hutchi...@gmail.com> wrote:
> > We can come up with some fuller solutions together, it doesn't all need
> to be on you.
>
> I would recommend we use Qt::QStandardPaths
> http://doc.qt.io/qt-5/qstandardpaths.html
>
> I believe the plugin l
That sounds great to me, as with anything it is about finding the things
that interest you the most. I am fine with a naive /.avogadro that
would work on most OSes, if it doesn't exist we would skip, duplicates may
happen. Personally I would then just symlink whatever local files I am
working on in
> This operates on systems where someone may install Avogadro, but does not
> have root/admin. The better solution would be to have a priority search
> order, and build up a list of unique names. We should support local
> development of scripts in a .local/avogadro/user/ etc too. The running
>
