Re: [cclib-devel] yet another adf bug

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

> Remember that a dictionary doesn't have an explicit ordering, so if
> you need ordering a list of fragments is better than a dictionary of
> fragments. Apart from that, it sounds fine. 'frags' sounds good also,
> although it does remind me of Quake.

I've added two attributes to the ADF parser: frags  and fragnames.  
Fragnames is simply a list of names, and frags is a list of lists  
that contain the numbers corresponding to the ordering in atomnos/ 
atomcoords.

> I wonder though whether, in the end, reading the equivalent of a
> checkpoint file would be a more sensible solution. There is a limit to
> how complicated the output file can be while still being parsable.
> Since you are likely to be doing the coding, you may want to think
> about this long and hard, but it's up to you.

I do think I'd like to support the ADF checkpoint files at some  
point, but as I don't use it extensively, it's not high on my list. ;o)

Adam