Re: [cclib-devel] [Openchemistry-developers] Regarding the proposal (GSoC 2018)

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

Hi Kunal,

First of all, I need to say that bunching projects together will not
necessarily increase your chances. We would much prefer to get one high
quality project that will be finished comprehensively, than 2-3 projects
with minimal implementations. I think there is enough room for a whole
summer's worth of coding for all of these projects. So we might be
concerned whether you can take on that much work.

For new parsers, there are at least two active issues for cclib concerned
with new parsers: https://github.com/cclib/cclib/issues/180 and
https://github.com/cclib/cclib/issues/191. Please also do you own research
about what programs you think would be good to parse. A reasonable place to
start would be, for example, the Wikipedia page listing computation
chemistry programs. We'd be most interested, probably, in programs that
support Hartree-Fock and post-HF methods:
https://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid-state_physics_software

HTH,
Karol


On Tue, Mar 13, 2018 at 8:26 PM, Kunal Sharma <ks0...@gm...> wrote:

> Hello mentors,
>
> I have created a pull request for cclib issue #452 and have started to
> work on my proposal for the following topics:
> 1. Implement New Parsers
> 2.Implement QC JSON schema in cclib
> 3. Advanced Analysis of Quantum Chemistry data
>
>
>
> *I want to club 2 out of th 3 above mentioned topics as my project for
> GSoC 2018.*
>
>
> *I have the following queries I need your help with.*
> 1. What new parsers are we looking at to implement?
> 2. Can I club together two topics? I think working for about 35-40 hours a
> week will be give me enough time to implement two topics.
> 3. What is the exact end goal for the QC JSON schema project?
> 4. Along with the proposal what other work can I begin that will help the
> chances of my proposal being selected?
>
> I have started work on my proposal and will get the first draft (for you
> to look through) ready in a few days.
>
> Thank you.
>
> Yours truly,
> Kunal Sharma
>
>
> ‌
>
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