[ase-users] ASE-3.2 released

[Jens Jørgen Mortensen]

On Fri, 2009-09-04 at 10:53 +0200, Jens Jørgen Mortensen wrote:
> Hi!
> 
> After five months of hard work, we finally have a new stable version of
> ASE.  Thanks to everyone who has contributed with bug-reports, tests,
> ideas and code.
> 
> This release contains a lot of bug-fixes and also major work on VTK,
> Jacapo, ELK, the transport module and many other things that I can't
> remember right now - sorry about that.
> 
> VERY IMPORTANT:
> The functions in ase.lattice.surface now add the same amount of vacuum
> to both sides of the slab, and are thus now consistent with
> atoms.center(vacuum=XXX).  So, after and update to ASE-3.2, you will get
> twice as much vacuum in your calculation as before.  You may not want
> that, as it could be unnecessary and expensive!
> 
> ALSO IMPORTANT:
> With ASE-3-1, "from ase import *" would import all names also from the
> NumPy module.  This is no longer the case.  If you need NumPy
> functionality in you script, you should do an "import numpy as np" and
> prefix all numpy names with "np." (like np.linspace).
> 
> The naming of structure optimizers was also changed a bit.  You can read
> about it here:
> 
>  https://wiki.fysik.dtu.dk/ase/ase/optimize.html

Just changed default QuasiNewton optimizer to BFGS as it was in ASE-3.1.
If you have just updated to ASE-3.2.0.1114, then please update again to
ASE-3.2.0.1121.

> Good luck with the update!
> Jens Jørgen
> 
> 
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