File: ANNOUNCE

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cclib 1.0.1-2
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cclib 1.0.1 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, Firefly, GAMESS (US), GAMESS-UK, Gaussian, Jaguar, Molpro and ORCA.

Among other data, cclib extracts:

    * coordinates and energies
    * information about geometry optimization
    * atomic orbital information
    * molecular orbital information
    * information on vibrational modes
    * the results of a TD-DFT calculation 

(For a complete list see http://sourceforge.net/apps/mediawiki/cclib/index.php?title=Parsed_Data).

cclib also provides some calculation methods for interpreting the electronic properties of molecules using analyses such as:

    * Mulliken and Lowdin population analyses
    * Overlap population analysis
    * Calculation of Mayer's bond orders. 

(For a complete list see http://sourceforge.net/apps/mediawiki/cclib/index.php?title=Calculation_Methods).

For information on how to use cclib, see
      http://sourceforge.net/apps/mediawiki/cclib/index.php?title=Using_cclib.

If you need help, find a bug, want new features or have any questions, please send an email to our mailing list:
	https://lists.sourceforge.net/lists/listinfo/cclib-users

If your published work uses cclib, please support its development by citing the following article:
    N. M. O'Boyle, A. L. Tenderholt, K. M. Langner, cclib: a library for package-independent computational chemistry algorithms, J. Comp. Chem. 29 (5), 839-845 (2008)

Regards,

 The cclib development team