From: Adam T. <a-t...@st...> - 2006-06-06 23:31:11
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I've uploaded and worked on parsing the NOSYM and EPRINT ADF files. I fixed a pretty major bug in the mocoeffs where the MOs and AOs (ie. rows and columns) were switched. Hopefully this means the ADF parser is more or less ready to go. How's the progress on the other parsers for the 0.5 release coming? I also saw some scripts and bridges to other python libraries. Also, we may want to consider testing cclib on the AOMix example files available at http://www.sg-chem.net. I know the ADF example breaks it, but it should be a relatively easy fix. Adam |