[ase-users] ASE 3.5 released

Jens Jørgen Mortensen jensj at fysik.dtu.dk
Thu Apr 14 09:12:44 CEST 2011


Hi!

There is now a new stable version of ASE:

  https://wiki.fysik.dtu.dk/ase/download.html

Since 3.4.1 from August 2010, a lot of improvements have been made.
Here are some of the new things that I can remember:

* Improved EMT potential:  Uses a neighbor list object and is now ASAP
compatible.

* BFGSLineSearch is now the default optimizer
(``QuasiNewton==BFGSLineSearch``).

* There is a new interface to the LAMMPS molecular dynamics code.

* New phonons module.

* New BundleTrajectory.


https://wiki.fysik.dtu.dk/ase/development/releasenotes.html#version-3-5-0

And as always, lots of bugs have been fixed and then all the stuff I
forgot to mention.  Thanks to everyone who contributed with code, bug
reports and other feedback.

Jens Jørgen






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