From: Karol M. L. <kar...@gm...> - 2014-06-20 18:49:53
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Hi Eric, No one is working on a Q-Chem parser at this time, but we would be very interested if you would be willing to contribute one. I think the easiest way to start off is to replicate some basic unit tests we have in Q-Chem, and start hacking away at the attributes you can parse from those outputs. Cheers, Karol On Jun 19 2014, Eric Berquist wrote: > Hello, > > I'm interested in contributing a Q-Chem parser to cclib, but I want to make > sure first that no one else is working on one. Is this something that is of > interest? > > Eric > ------------------------------------------------------------------------------ > HPCC Systems Open Source Big Data Platform from LexisNexis Risk Solutions > Find What Matters Most in Your Big Data with HPCC Systems > Open Source. Fast. Scalable. Simple. Ideal for Dirty Data. > Leverages Graph Analysis for Fast Processing & Easy Data Exploration > http://p.sf.net/sfu/hpccsystems > _______________________________________________ > cclib-devel mailing list > ccl...@li... > https://lists.sourceforge.net/lists/listinfo/cclib-devel -- written by Karol M. Langner Fri Jun 20 14:48:10 EDT 2014 |