Re: [task #7404] Support for XYZ structure files. -- June 17, 2011 - 10:57

Cheers, I'll add this to the commit message.

Regards,

Edward


On 17 June 2011 10:53, Han Sun <hasu@xxxxxxxxxxxxxxxxx> wrote:
> 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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