Re: [cclib-devel] possible cclib bug/undefined behaviour

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

I have just checked this with the development version and it seems to
be fine; that is, with the attached logfile, I see 36 vibfreqs not 72.

- Noel

On 9 October 2012 14:55, Björn Dahlgren <bd...@kt...> wrote:
> Dear all,
>
> I just wanted to raise the question if the following is a desired behaviour:
>
> parsing a combined Gaussian `opt=(calcall) freq` job logfile yields spurious
> copies of frequencies from optimization in `vibfreqs`.
>
> I attach a zipped logfile to illustrate the problem. i.e. this 14 atom
> structure have 72 vibfreqs (!) instead of 36...
>
> Cheers,
> /Björn
>