Re: [cclib-devel] [Openchemistry-developers] Regarding Slack Channel and GSoC'19

[Karol L. <kar...@gm...>]

Hi Amartya,

I just sent the invite.

For the project, at this point I would recommend thinking about the basics,
such as:
1. Which methods exactly do you think are most important to implement? How
many do you think are reasonable to cover in a summer?
2. Review those methods, and let us know if there's anything you don't
understand... any tough equations, or things you anticipate problems with
in the implementation?
3. Where do you think this will live? Would the code go into the cclib
repository, or something built on top of it?

One of the things we really look at is intro work and any contributions,
however small, since that's a good indicator or the quality of code you
will contribute during the summer. Take a look at our current issues in
cclib, maybe take a stab at one of them. Try to work with the code, read
through it a little bit.

Another thought for you (and others applying): cclib has been around for a
long time as far as OOS projects go (>10 years), so there are a lot of
warts and legacy bits in there. Sometimes those stand in the way of new
ideas and projects - consider if and how this would affect your project.

Hope that helps a little,
Karol

On Thu, Mar 7, 2019 at 9:04 AM Amartya Prusty <apr...@gm...> wrote:

> Dear Karol,
> I am Amartya Kumar Prusty, a 3rd year undergraduate student at IIT Kanpur,
> India and I am interested in learning and contributing to your
> organization. I have a strong interest in programming and more specifically
> in algorithms. I am also pursuing a minors in Quantum Mechanics and have
> experience in Molecular Dynamics and Density Functional Theory.
> I am interested in the project "Advanced Analysis of Quantum Chemistry
> Data" and I would like to know more and work on this with the help you and
> the co-mentors available.
> Therefore, I request you for a slack invite for the same so that I can
> start working on it at the earliest.
> Yours sincerely,
> Amartya Kumar Prusty,
> B.Tech., Indian Institute of Technology Kanpur,
> Contact : apr...@gm...
> _______________________________________________
> Openchemistry-developers mailing list
> Ope...@pu...
> https://public.kitware.com/mailman/listinfo/openchemistry-developers
>