cclib-devel — Developer's mailing list

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

Hi Varun,

Sorry again for the delay. Adding +cclib-dev List
<ccl...@li...> in case others want to chime in

You're right, the idea for the project is set up a system/pipeline to
discover and harvest computational results online. I think the problem
statement is quite clear, if terse. We do expect prospective students to be
self-starters and already somewhat familiar or at least able to become
reasonably familiar with the computational chemistry landscape online.
Perhaps consider following up on the following:
- continue perusing our codebase and docs, just as you've been doing
- you can try to tackle on of the issues for cclib marked for beginners
<https://github.com/cclib/cclib/issues?q=is%3Aopen+is%3Aissue+label%3Abeginner>
- try to start writing an application for your idea
- consider sources - what repositories of computational chemistry results
already exist online?
- consider prior art - has anybody already done something similar?

Hope that helps,
Karol


On Wed, Feb 26, 2020 at 12:26 PM Karol Langner <kar...@gm...>
wrote:

> Hello Varun,
>
> Thank you for you email, and sorry for the delay. I have been travelling
> the last few days and am behind on my email. I will get back to you soon.
>
> - Karol
>
> On Wed, Feb 26, 2020 at 9:17 AM Varun Balasaheb Bankar <
> f20...@go...> wrote:
>
>> Dear Karol,
>>
>> I had mailed you regarding the project "Discovering Computational
>> Chemistry Content Online" for GSoC 2020 but did not hear back from you. I
>> am sending this mail to check if you are could share some information
>> regarding the project as very little information was given in the
>> description of the project. Meanwhile, I have started reading the
>> documentation of cclib at http://cclib.github.io and trying to
>> understand the codebase. Waiting to hear from you regarding if you have any
>> problem statement as such for me to work upon to showcase my ability for
>> working on this project. From the description of the project, I understood
>> that the project is mainly about discovering content from the web and then
>> using cclib to parse the information from them.
>>
>> Hope to hear from you soon.
>>
>> Thank you.
>>
>> Regards,
>> Varun Bankar
>>
>