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Re: [cclib-users] Contritbuting
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From: Ramon C. <rc...@iq...> - 2016-06-01 11:10:20
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Dear Karol,<br>
Thanks for your help. I've now integrated the code to read Gaussian
BOMD in my cclib git repo. I haven't yet prepared any test file,
because I'm not sure what the policy is or how it works (but of
course I've tested it works with my files). Should I do a pull
request or should I include the tests first? For the later I'm
afraid I need some advice...<br>
All the best,<br>
Ramon<br>
<br>
<br>
<div class="moz-cite-prefix">On 27/05/16 19:44, Karol Langner wrote:<br>
</div>
<blockquote
cite="mid:CAG...@ma..."
type="cite">
<div dir="ltr">Hi Ramon,
<div><br>
</div>
<div>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.</div>
<div><br>
</div>
<div>Please take a look at <a moz-do-not-send="true"
href="http://cclib.github.io">cclib.github.io</a>, although
some of the things may be outdated and developer docs are not
very detailed. Sorry about that!</div>
<div><br>
</div>
<div>Best,</div>
<div>Karol</div>
<div><br>
</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Fri, May 27, 2016 at 5:55 AM, Ramon
Crehuet <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:rc...@iq..." target="_blank">rc...@iq...</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">Dear cclib
developers,<br>
I've been using cclib as a user for a long time and great
sucess. My last use<br>
concerned readling BOMD trajectories from Gaussian. Because
of the peculiarities<br>
of these calculations, cclib does not perform optimally, so
I finally wrote my<br>
own parser.<br>
Is there anybody working on implementing this in cclib? If
not, could I<br>
contribute with my code? If so, how should I proceed? (Guide
for developpers,<br>
coding style, tests to prepare, create a github pull
request?)<br>
All the best,<br>
Ramon<br>
<br>
--<br>
Ramon Crehuet<br>
Cientific Titular (Assistant Professor)<br>
Institute of Advanced Chemistry of Catalonia<br>
IQAC - CSIC<br>
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08034 Barcelona (Spain)<br>
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<pre class="moz-signature" cols="80">--
Ramon Crehuet
Cientific Titular (Assistant Professor)
Institute of Advanced Chemistry of Catalonia
IQAC - CSIC
<a class="moz-txt-link-freetext" href="http://www.iqac.csic.es/qteor">http://www.iqac.csic.es/qteor</a>
<a class="moz-txt-link-freetext" href="https://twitter.com/rcrehuet">https://twitter.com/rcrehuet</a>
<a class="moz-txt-link-freetext" href="http://ramoncrehuet.wordpress.com/">http://ramoncrehuet.wordpress.com/</a>
Tel. +34 934006116
Jordi Girona 18-26
08034 Barcelona (Spain) </pre>
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