Re: [cclib-devel] Re: Progress towards release

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

> What's the naming scheme again? Check out the wiki for examples of
> what's extracted from GAMESS and Gaussian and let me know if this  
> needs
> to be improved.

Ooh, I wasn't thinking of aonames but mosymms. The aonames look fine,  
although we may want to consider normalizing the GAMESS names at some  
point.

> I'll try and add a method today that reads the first 10 lines of the
> file and guesses the identity, how does that sound?

Sounds good.

> In PyMOlyze/GaussSum we can flash a box up that asks people to send us
> their log file if it doesn't guess correctly, and they want to help us
> improve it.

Yeah, makes sense. I'll make a note of that.

Adam