[Openchemistry-developers] Regarding the proposal (GSoC 2018)

[Kunal Sharma]

Hey Karol,

Thanks for the reply. I understand and will make sure that I choose a
project which I am most confident in completing in this GSoC term.

Additionally, I will make sure to select relevant softwares and show proper
time-line about the implementation of their parsers.

Regarding https://github.com/cclib/cclib/issues/191, can someone please
send me an output file for MOLCAS so that I may be able to go through it
and see how I would go about implementing its parser.

Thanks a lot.

Regards,
Kunal Sharma





‌

On Wed, Mar 14, 2018 at 9:09 PM, Karol Langner <karol.langner at gmail.com>
wrote:

> 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 <ks05111996 at gmail.com>
> 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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>>
>>
>
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