Re: [cclib-users] Contritbuting

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

Hi Ramon,

Of course, all contributions are very welcome and appreciated. Probably the
best way to move forward is just to try to fit your code into cclib and
open a pull request. It is also better (well, easier to review) to submit
small changes separately, if it is possible to break down your code into
independent fragments.

Please take a look at cclib.github.io, although some of the things may be
outdated and developer docs are not very detailed. Sorry about that!

Best,
Karol


On Fri, May 27, 2016 at 5:55 AM, Ramon Crehuet <rc...@iq...> wrote:

> Dear cclib developers,
> I've been using cclib as a user for a long time and great sucess. My last
> use
> concerned readling BOMD trajectories from Gaussian. Because of the
> peculiarities
> of these calculations, cclib does not perform optimally, so I finally
> wrote my
> own parser.
> Is there anybody working on implementing this in cclib? If not, could I
> contribute with my code? If so, how should I proceed? (Guide for
> developpers,
> coding style, tests to prepare, create a github pull request?)
> All the best,
> Ramon
>
> --
> Ramon Crehuet
> Cientific Titular (Assistant Professor)
> Institute of Advanced Chemistry of Catalonia
> IQAC - CSIC
> http://www.iqac.csic.es/qteor
> https://twitter.com/rcrehuet
> http://ramoncrehuet.wordpress.com/
> Tel. +34 934006116
> Jordi Girona 18-26
> 08034 Barcelona (Spain)
>
>
>
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