[ase-users] ASE-3.13 release candidate

[Tom Daff]

Hi!

With regards to the removal of the 'dummy' lattice vectors that used to
be added for surfaces, I actually found that they were sometimes useful
as vacuum=None and vacuum=0 didn't mean the same thing. Setting
vacuum=None was an easy way of getting an oriented bulk cell identical
to the surface, whereas vacuum=0 gives you the same atoms but with no
separation between the top and bottom layers. Of course it is possible
to work out the interlayer spacing and add that as 'vacuum' to achieve
the same thing, but I thing the documentation for build.surface also
needs to be updated to reflect the changes.

Tom




On 17/01/17 10:22, Jens Jørgen Mortensen via ase-users wrote:
> Hi!
> 
> I've just uploaded ase-3.13.0rc1 to PyPI.  I would love as many of you
> to install it and try it out on some of the things you use ASE for:
> 
>     $ pip install ase --pre --user
> 
> or
> 
>     $ pip3 install ase --pre --user
> 
> See (incomplete) list of changes since 3.12 here:
> 
> https://wiki.fysik.dtu.dk/ase/releasenotes.html#git-master-branch
> 
> Jens Jørgen
> 
> 
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