Re: [cclib-devel] Fwd: Gaussian PBC

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

> Also, Mayer bond orders are twice as much as they should  be in
> Gaussian outputs.
> You can confirm that with any Gaussian run. Somehow along the way
> cclib overmultiplies the values by two.

Yeah, I'm aware of this, although I'm pretty sure it's only affects  
restricted calculations. Can you confirm that this is your case?

Adam