Published March 13, 2025 | Version 25
Software Open

DIRAC25

  • 1. ROR icon Université Toulouse III - Paul Sabatier
  • 2. ROR icon Centre National de la Recherche Scientifique
  • 3. ROR icon Vrije Universiteit Amsterdam
  • 4. ROR icon University of Southern Denmark
  • 5. ROR icon Université Lille Nord de France
  • 6. CONICET
  • 7. ROR icon National University of the Northeast
  • 8. ROR icon University of Oslo
  • 9. ROR icon Tel Aviv University
  • 10. EDMO icon University of Tromsø
  • 11. ROR icon Helmholtz Institute Mainz
  • 12. ROR icon Max-Planck-Institut für Kohlenforschung
  • 13. ROR icon Linköping University
  • 14. Université Toulouse III-Paul Sabatier
  • 15. ROR icon Technische Universität Braunschweig
  • 16. EDMO icon ETH Zürich
  • 17. Slovak Academy of Sciences
  • 18. ROR icon University of Kassel
  • 19. ROR icon Oslo University Hospital
  • 20. ROR icon Korea Advanced Institute of Science and Technology
  • 21. KTH Royal Institute of Technology
  • 22. Bhabha Atomic Research Centre
  • 23. ROR icon Aarhus University
  • 24. ROR icon University of Warsaw
  • 25. ROR icon Technical University of Denmark
  • 26. ROR icon UiT The Arctic University of Norway
  • 27. Algorithmiq Ltd
  • 28. Department of Physical and Theoretical Chemistry, Comenius University
  • 29. Hylleraas Centre for Quantum Molecular Sciences
  • 30. ROR icon Netherlands eScience Center
  • 31. ROR icon Institut Charles Gerhardt Montpellier
  • 32. Universiteit Leiden Instituut-Lorentz
  • 33. Emmanuel Fromager
  • 34. ROR icon University of Michigan–Ann Arbor
  • 35. ROR icon University of California, Berkeley
  • 36. Cardiff University
  • 37. ROR icon European Centre for Medium-Range Weather Forecasts

Description

Project website: https://diracprogram.org

The DIRAC program computes molecular properties using relativistic quantum chemical methods. It is named after P.A.M. Dirac, the father of relativistic electronic structure theory.

Notes

Please join our mailing list: https://groups.google.com/g/dirac-users

Files

Files (105.9 MB)

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md5:ce16ec8fe66babfad62aadf300642c73
105.9 MB Download

Additional details

Funding

European Commission
HAMP-vQED – Highly Accurate Molecular Properties using variational Quantum Electrodynamics 101019907
Agence Nationale de la Recherche
CompRIXS – Computation of Resonant Inelastic X-ray Scattering in the condensed phase across the whole periodic table ANR-19-CE29-0019
Agence Nationale de la Recherche
Simulating moleCulaR nonlinEar spEctrosCopies for Heavy elemEntS – SCREECHES ANR-24-CE29-0904

Software

Repository URL
https://gitlab.com/dirac/dirac
Programming language
Fortran Free Form, Fortran, C, C++, Python, CMake
Development Status
Active