Re: [cclib-devel] Numeric -> NumPy transition

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

It's likely that all algorithms have been broken - I assume I'm going
to have similar problems with GaussSum. It's best to make a clean
break with Numeric as this point though, as it's no longer available
for Python 2.5 on windows for example, which about 50% of people are
now using.

We will fix all these issues before the next release (promise!).

Noel

On 15/05/07, Adam Tenderholt <a-t...@st...> wrote:
> > As fas as I can tell, everything in cclib still works with Numeric.
> > I haven't
> > actaully run the tests until now (just commited a little hack to
> > get the test
> > code working, though), but they do finish fine. The regression
> > tests are also
> > OK. It is wise, however, to drop Numeric at some point, since it is
> > not
> > supported anymore.
>
> The Mulliken and C-squared population analysis are broken with
> revision 624. I haven't really explored it other than noticing that
> the numbers are way off and that it looks like every aoresult for a
> given MO have the same number (~1).
>
> Adam
>
>
> -------------------------------------------------------------------------
> This SF.net email is sponsored by DB2 Express
> Download DB2 Express C - the FREE version of DB2 express and take
> control of your XML. No limits. Just data. Click to get it now.
> http://sourceforge.net/powerbar/db2/
> _______________________________________________
> cclib-devel mailing list
> ccl...@li...
> https://lists.sourceforge.net/lists/listinfo/cclib-devel
>