Re: [cclib-devel] CDA/Numeric bug (was Moving towards release)

[Adam T. <a-t...@st...>]

It appears that there are problems with typecodes in the CDA method.  
The donations and fooverlaps arrays are of type 'f' (4 bytes) while  
the mocoeffs is of type 'd' (8 bytes). What should be changed? Keep  
in mind that mocoeffs here are in the fragment MO basis, so doesn't  
necessarily reflect those of parser mocoeffs (although we should be  
careful so that MPA/CSPA can still be performed in the fragment MO  
basis).

Adam