Université Paul Sabatier - Bat. 3R1b4 - 118 route de Narbonne 31062 Toulouse Cedex 09, France


décembre 2020 :

Rien pour ce mois

novembre 2020 | janvier 2021

Rechercher





Accueil > Actualités

New version of the DIRAC code

A new version of the DIRAC code (DIRAC19, Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations) for two- and four-component relativistic molecular calculations is available. Two members of the Methods and Tools of Quantum Chemistry group (GMO), Timo Fleig and Trond Saue, are members of the developers team of the DIRAC code.

For more informations, you can consult the DIRAC website.

A full list of features, enhancements, optimizations and bug fixes of DIRAC19 compared to DIRAC18 is found here.

As usual, the code is freely distributed to all academic users. A novelty this year is open access, you can download a tarball of the code directly from the zenodo web site.