DIRAC22 is out in the open !

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Trond SAUE

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Feb 8, 2022, 12:21:00 PMFeb 8
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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
--
Trond Saue
Laboratoire de Chimie et Physique Quantiques
UMR 5626 CNRS --- Université Toulouse III-Paul Sabatier
118 route de Narbonne, F-31062 Toulouse, France

Phone : +33/561556361 Fax: +33/561556065
Mail : trond...@irsamc.ups-tlse.fr
Web : https://dirac.ups-tlse.fr/saue
DIRAC : http://www.diracprogram.org/
ESQC : http://www.esqc.org/
Book: Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations
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