[cclib-svn] SF.net SVN: cclib: [367] trunk

[<ate...@us...>]

Revision: 367
          http://svn.sourceforge.net/cclib/?rev=367&view=rev
Author:   atenderholt
Date:     2006-10-10 22:13:08 -0700 (Tue, 10 Oct 2006)

Log Message:
-----------
Gaussian: (Bug fix) Parser input orientation; if standard orientation isn't found, use input orientation for atomnos and atomcoords. Fixes one of the errors for dvb_un_sp.out.

Also updated the regression test for dvb_un_sp.out so that it checks that there are 20 entries in atomnos, and the shape of the atomcoords is (1,20,3) for one structure, twenty atoms, and the x/y/z in points.

Modified Paths:
--------------
    trunk/src/cclib/parser/gaussianparser.py
    trunk/test/regression.py


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