[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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