Re: [cclib-devel] Molpro

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

> Could you list the attributes that should be parsed in order for it  
> to be
> usable by GaussSum and PyMOlyze?

PyMOlyze uses mocoeffs and aonames at the very least for CSPA. Also  
needed are aooverlaps (for MPA, and possibly more), and atomcoords  
and atomnos  (for the fun graphical stuff).

Adam