Dear DIRAC users,
We are happy to announce the release of DIRAC22,
the latest version of the
DIRAC code for 2- and 4-component relativistic
molecular electronic
structure calculations.
A full list of features, enhancements,
optimizations, and bug fixes of DIRAC22
compared to DIRAC21 is
found here:
http://diracprogram.org/doku.php?id=features
Our documentation pages
http://diracprogram.org/doc/release-22/
contain a number of new
tutorials and are continually updated.
This is the first open source DIRAC
release where we distribute the code
under the GNU Lesser
General Public License v2.1 to simplify
and encourage sharing and
publishing of derivative works:
https://gitlab.com/dirac/dirac/
You can download a tarball of the code directly
from the Zenodo web site:
https://doi.org/10.5281/zenodo.6010449
Users are encouraged to join the user’s mailing
list:
http://groups.google.com/group/dirac-users
For proper citation of DIRAC22, please consult
http://www.diracprogram.org/doku.php?id=citation
Please note that we
recommend citing the particular version of DIRAC that you are
using,
as well as the general
paper https://doi.org/10.1063/5.0004844
On behalf of the DIRAC team,
Hans Jørgen Aagaard Jensen
Radovan Bast
André Gomes
Trond Saue
Lucas Visscher