DIRAC22 release (open source)

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 continuously 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

Last updated on Apr 01, 2022 16:50 UTC
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