DIRAC25 is released !

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Trond SAUE

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Mar 14, 2025, 6:36:24 AMMar 14

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Dear DIRAC users,

We are happy to announce the release of DIRAC25 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 DIRAC25 compared to DIRAC24 is found here: http://diracprogram.org/doku.php?id=features

Our documentation pages https://www.diracprogram.org/doc/release-25/ contain a number of new tutorials and are continually updated.

As usual, the code is freely distributed to all academic users. You can download a tarball of the code directly from the zenodo web site https://doi.org/10.5281/zenodo.14833106

(Please have a look at the LICENCE file, though)

Users are encouraged to join the user's mailing list http://groups.google.com/group/dirac-users

For proper citation of DIRAC25, please consult http://www.diracprogram.org/doku.php?id=citation

On behalf of the DIRAC team,

T. Saue, L. Visscher, H. J. Aa. Jensen, R. Bast and A. S. P. Gomes

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/
ERC Advanced Grant: HAMP-vQED

Book: Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations

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