qwalk 0.96.0 released
Lucas Wagner
I'm pleased to announce that qwalk 0.96.0 has been released. There
was no particular trigger for this release, other than it's been a
while since the last one. QWalk has reached the point where it is
evolving piece by piece and it is difficult to pinpoint a time to cut
a release. Because of this, in the future, I plan to release more
often. I suggest that when you start a project, you take the latest
release and use it throughout the project unless there is a
showstopping bug.
I'm excited about some of the developments that have been added to
QWalk since the last release. These include bugfixes and speed
increases, as well as the following:
- A new Abinit converter that is much easier to use (abinit2qmc2), and
a new NWChem converter (nwchem2qmc).
- A new Bspline orbital evaluator that is extremely fast.
- A testing version of the Stochastic reconfiguration optimization
method by Sorella
- Much better handling of wave functions of large systems.
- Most of the information about the code is now at
http://code.google.com/p/qwalk/. The spam on the QWalk wiki was
getting too extreme to maintain. http://www.qwalk.org now redirects
there. Update your bookmarks.
There has also been some code refactoring behind the scenes, which
will enable some new developments down the line. Please let this list
know if you encounter any problems.
Best regards,
Lucas