From: Karol L. <kar...@kn...> - 2007-07-09 07:53:24
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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 |