[Gausssum-devel] ANN: GaussSum 2.0 final

[Noel O'B. <bao...@gm...>]

GaussSum 2.0 is now available from http://gausssum.sf.net.

Release Notes for Version 2.0: (main differences compared to GaussSum 1.0)

    *      This is the first release of GaussSum that uses cclib
(http://cclib.sf.net) to parse output files.
    *      Calculation of the DOS and COOP uses matrix algebra now,
and is almost instant.
    *      Images can now be saved as .png files.
    *      Groups can be described in terms of atomic orbitals now
(and not just atoms). Note that there is a new format for groups.txt.

The main difference between 2.0rc2 and this final release is that a
bug related to viewing the results of frequency calculations has been
fixed.

Please note that I will no longer be supporting GaussSum 1.0 in terms
of bug fixes/new features.

Have fun,
   Noel