[cclib-svn] SF.net SVN: cclib: [605] trunk

[<la...@us...>]

Revision: 605
          http://svn.sourceforge.net/cclib/?rev=605&view=rev
Author:   langner
Date:     2007-03-29 12:07:14 -0700 (Thu, 29 Mar 2007)

Log Message:
-----------
Branch GAMESS CIS tests into two - using SAPS and determinant-based hamiltonians. The DETS test seems to give incorrect oscillator strengths, so it is not tested at present (I will seek the reason for the inconsistency, though). Appropriate modifications to the GAMESS parser and testCI.py.

Modified Paths:
--------------
    trunk/src/cclib/parser/gamessparser.py
    trunk/test/testCI.py

Added Paths:
-----------
    trunk/data/GAMESS/basicGAMESS-US/water_cis_dets.inp
    trunk/data/GAMESS/basicGAMESS-US/water_cis_dets.out
    trunk/data/GAMESS/basicGAMESS-US/water_cis_saps.inp
    trunk/data/GAMESS/basicGAMESS-US/water_cis_saps.out

Removed Paths:
-------------
    trunk/data/GAMESS/basicGAMESS-US/water_cis.inp
    trunk/data/GAMESS/basicGAMESS-US/water_cis.out


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