On behalf of the cclib development team, we are pleased to announce the release of cclib 1.3.1, which is now available for download from http://cclib.github.io. This is a minor update to version 1.3 that includes bug fixes and small improvements.

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, NWChem, ORCA, Psi and QChem.

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
    * charges and mutlipole moments

(For a complete list see http://cclib.github.io/data.html).

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://cclib.github.io/methods.html).

For information on how to use cclib, see
    http://cclib.github.io/tutorial.html

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)
You can also specifically reference the newest stable version of cclib as:
    Eric Berquist, Karol M. Langner, Noel M. O'Boyle, and Adam L. Tenderholt. Release of cclib version 1.3.1. 2015. http://dx.doi.org/10.5281/zenodo.15108

Regards,
The cclib development team

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Major changes since cclib 1.3:
    * New attribute nooccnos for natural orbital occupation numbers (GAMESS, GAMESS-UK, Gaussian)
    * Add ability to read XYZ files with ccget (OpenBabel is needed)
    * Improve parsing atomic and molecular orbitals (Molpro, Psi)
    * Improve parsing TDDFT transitions (QChem)
    * Bugfixes, thanks to Ben Albrecht, Clyde Fare, Felix Plasser, Axel Schild and others
