ANN: cclib 0.7 released

[baoilleach at 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 at lists.sourceforge.net

Regards,
   The cclib development team