From: Noel O'B. <bao...@gm...> - 2007-07-09 09:09:40
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OK - go for it! I hope to do more cclib development in the near future, now that I've gotten GaussSum using the SVN trunk of cclib. Noel On 09/07/07, Karol Langner <kar...@kn...> wrote: > On Tuesday 12 June 2007 12:23, Noel O'Boyle wrote: > > Looking at the boxes not ticked on the "development parsed data", I > > would say it needs some more work - for example, it's currently not > > usable by GaussSum or PyMOlyze. If you can create the input files, I > > can do some of this. > > Since this post I've added alot of code to the Molpro parser (see > http://cclib.sourceforge.net/wiki/index.php/Development_parsed_data for > details), and most of the needed test files. So maybe it is time now to move > it to the trunk and get it synched with the other tests? > > -- > written by Karol Langner > Mon Jul 9 09:47:24 EDT 2007 > |