Re: [cclib-devel] basis functions don't match

[Noel O'B. <bao...@gm...>]

I guess that the set of non-redundant basis functions depends on the
geometry somehow. I think I've seen this before,  but it's a rare
occurence. Is it possible to get ahold of the log file and file a bug?

- Noel

2009/12/22 Adam Tenderholt <a-t...@st...>:
> One of my labmates has a problem with a Gaussian optimization where cclib says that the number of basis functions don't match. I've tracked the problem to NBsUs changing at certain steps. Any idea of why this is happening?
>
> Adam
>
>
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