CCL:G: ANN: cclib 0.7 released



 Sent to CCL by: "Noel M. O Boyle" [baoilleach(-)gmail.com]
 cclib 0.7 is now available for download from http://cclib.sf.net.
 cclib is an open source library, written in Python, for parsing and
 interpreting the results of computational chemistry packages. It currently
 parses output files from ADF, GAMESS (US), GAMESS-UK, Gaussian, Jaguar and
 PC GAMESS.
 The main new features in this release are:
 * a Jaguar parser
 * cclib now extracts the Gaussian basis, the MP-corrected energies, and the
 Cartesian displacement vectors
 * Charge Decomposition Analysis, Fragment analysis
 For more details, see http://cclib.sf.net/wiki/index.php/Changelog
 Among other data, cclib extracts:
 * coordinates
 * atomic orbital information
 * molecular orbital information
 * information on vibrational modes
 * the results of a TD-DFT calculation
 (For a complete list see http://cclib.sf.net/wiki/index.php/Parsed_Data).
 cclib also provides some calculation methods for interpreting some electronic
 properties of molecules using analyses such as:
 * Mulliken population analysis
 * Overlap population analysis
 * Calculation of Mayer's bond orders.
 For information on how to use cclib, see
    http://cclib.sf.net/wiki/index.php/Using_cclib.
 If you need help, find a bug, want new features or have any questions, please
 send an email to our mailing list:
    cclib-users{=}lists.sourceforge.net
 Regards,
    The cclib development team