Dear Tony,
Great to hear from you. Yes, I think it's important for the project to have
some background in both programming and computational chemistry (e.g., knowing
why you'd care about molecular surfaces, MOs, electron density, etc.)
Beyond that, if you're interested, I encourage you to
Some level of chemistry would be extremely useful. The project you mention
likely requires less chemistry knowledge, since embedding a Python scripting
interpreter in the code requires more coding competence than chemistry
background. However, a competitive proposal would likely require some
Hi,
To update the list, we were not selected this year. I got feedback
from Google which was very positive and encouraged us to apply again
next year. They only accepted 137 organizations this year (down from a
high of 190 last year). We had some great ideas, and we will continue
to work on links
Hi guys,
I would definitely be happy to help out from the cclib side of things. I
don't think I would manage the time to mentor, but could help generally
organize things as well. I have been trying to make some time to get into
Avogadro and openbabel, and this would be a good pretext.
I have
On Mon, Dec 8, 2014 at 3:00 PM, Michael Banck mba...@gmx.net wrote:
On Mon, Dec 08, 2014 at 10:53:50AM -0500, Geoffrey Hutchison wrote:
The deadline for applying to be a mentoring organization for Google
Summer of Code is fast approaching.
I'm not sure precisely where to hang our hat (e.g.,
The deadline for applying to be a mentoring organization for Google Summer of
Code is fast approaching.
I'm not sure precisely where to hang our hat (e.g., Avogadro alone, general
open-source chemistry like Blue Obelisk, or through another group like the
University of Pittsburgh) but I'd
Personally, I'd like to see more interoperability between the
open-source chemistry apps, including avogadro, openbabel and cclib
Indeed, I think one big push is for Avogadro v2 to use cclib to read QM file
formats (e.g., MO coefficients, basis set, etc.) rather than implementing them
all in
