Re: [task #7404] Support for XYZ structure files. -- June 17, 2011 - 10:52

Hi,

because this was a mistake generated by me. In a normal xyz file the  
second line is just the molecule name. But for reading the xyz file  
actually it does not matter whether it  has this 0.00000 or not. But  
I think since this is a test xyz file it would be good to remove it  
so that it looks like a normal xyz file.

Best,
Han

On Jun 17, 2011, at 10:47 AM, Edward d'Auvergne wrote:

> Hi,
>
> Would you be able to explain why the 0.00000 was removed?
>
> Cheers,
>
> Edward
>
>
>
> On 17 June 2011 10:41, Han Sun <NO-REPLY.INVALID-ADDRESS@xxxxxxx>  
> wrote:
> > Follow-up Comment #12, task #7404 (project relax):
> >
> > Modifying test_suite/shared_data/structures/Indol_test.xyz
> > This is Han's patch https://gna.org/task/download.php? 
> > file_id=13244 attached
> > to the task
> > http://gna.org/task/?7404.
> > In the test_suite/shared_data/structures/Indol_test.xyz 0.00000  
> > after the
> > molecule name was removed.
> >
> >    _______________________________________________________
> >
> > Reply to this item at:
> >
> >  <http://gna.org/task/?7404>
> >
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