From: Mirko S. <sc...@ch...> - 2016-10-27 08:16:53
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Hello, I've started to implement reading Molden formatted [1] input files. Finished is to read in the molecular orbital description (Atoms, GTO, MO sections). If you are interested the branch is on GitHub [2]. Regards Mirko [1] http://www.cmbi.ru.nl/molden/molden_format.html [2] https://github.com/srtlg/cclib/tree/development-parse-molden |