DIRAC

authors

Anonymous (anonymous@undisclosed.example.com) — 2026-02-20T16:56:13+00:00

Authors Trond Saue ORCID: 0000-0001-6407-0305 general structure, closed-shell Hartree-Fock, density functional theory module, quaternion symmetry scheme, wave function analysis (Mulliken/projection/visualization), expectation values, linear response module, effective QED potentials

citation

Anonymous (anonymous@undisclosed.example.com) — 2026-04-17T12:45:47+00:00

We work long days and late nights to improve the DIRAC code, which we distribute free of charge. We therefore ask you to acknowledge any use of the DIRAC program suite that results in published material. We recommend citing the employed version (see below) as well as the general paper:

dissertations

Anonymous (anonymous@undisclosed.example.com) — 2026-02-16T13:48:06+00:00

Ph.D. dissertations and Habilitationsschriften related to DIRAC development Ph.D. dissertations [Gabriele Fabbro, Université de Toulouse, F, 2025 (pdf, 2.4 MB)] Highly Accurate Molecular Properties using High-Order Relativistic Coupled Cluster Theory [Xiang Yuan, Université de Lille and Vrije Universiteit Amsterdam, F&NL, 2024 (pdf, 20.0 MB)] Molecular Properties in the Linear Response Regime and Beyond with Relativistic Coupled-Cluster

features

Anonymous (anonymous@undisclosed.example.com) — 2026-02-25T12:17:57+00:00

New features in DIRAC26 * Basis set library has been extended with 5z basis sets for s blocks: New dyall.(v5z/cv5z/av5z/ae5z/acv5z/aae5z) basis sets. * Contributor: K. Dyall * Zenodo links: s-block elements and p-block elements * Reference : M. L. Reitsma, E. H. Prinsen, J. D. Polet, A. Borschevsky, and K. G. Dyall,

how_to_work_with_git

Anonymous (anonymous@undisclosed.example.com) — 2017-10-02T13:20:14+00:00

Working with Git Git is a program that helps multiple developers work together on a program simultaneously. Every revision to the source code is retained, so if something goes wrong it is always possible to go back to a previous state. Main differences that surprise Subversion users

issues

Anonymous (anonymous@undisclosed.example.com) — 2026-02-25T07:41:04+00:00

Known Issues As with all software, also DIRAC has bugs that are either hard to find and fix or occur in external software (compilers, libraries) that are not under our control. On this page we keep a list of important known issues and (if possible) work-arounds. A more extensive list is found at the issues page of our gitlab repository.

map

Anonymous (anonymous@undisclosed.example.com) — 2019-12-13T19:25:56+00:00

meeting2014

Anonymous (anonymous@undisclosed.example.com) — 2014-07-01T13:56:45+00:00

DIRAC meeting 2014, Odense, June 28th - July 2nd (Arrival June 27th) For new people The DIRAC meeting is a family reunion for DIRAC developers and DIRAC friends. It is a nice opportunity to meet the people behind the DIRAC code. There is no registration fee but for organization purposes please let Hans Jørgen know that you want to come.

meeting2015

Anonymous (anonymous@undisclosed.example.com) — 2015-05-11T21:45:36+00:00

18th DIRAC Working Group Meeting 2015, Odense, May 7th - May 11th (Arrival May 6th) For new people The DIRAC meeting is a family reunion for DIRAC developers and DIRAC friends. It is a nice opportunity to meet the people behind the DIRAC code. There is no registration fee but for organization purposes please let Hans Jørgen know that you want to come.

meeting2016

Anonymous (anonymous@undisclosed.example.com) — 2016-05-30T19:59:10+00:00

19th DIRAC Working Group Meeting 2016, Odense, May 29th - June 1st (Arrival May 28th) For new people The DIRAC meeting is a family reunion for DIRAC developers and DIRAC friends. It is a nice opportunity to meet the people behind the DIRAC code. There is no registration fee but for organization purposes please let Hans Jørgen know that you want to come.

meeting2017

Anonymous (anonymous@undisclosed.example.com) — 2017-06-08T08:31:38+00:00

20th DIRAC Working Group Meeting 2017, Odense, June 6th - 9th (Arrival June 5th) Location FKF kollokvierum (please add a link to a room map) For new people The DIRAC meeting is a family reunion for DIRAC developers and DIRAC friends. It is a nice opportunity to meet the people behind the DIRAC code. There is no registration fee but for organization purposes please let Hans Jørgen know that you want to come.

meeting2018

Anonymous (anonymous@undisclosed.example.com) — 2018-05-30T12:46:00+00:00

21th DIRAC Working Group Meeting 2018, Odense, May 28th - 31st (Arrival May 27th) Location FKF kollokvierum ( Where is that room?) For new people The DIRAC meeting is a family reunion for DIRAC developers and DIRAC friends. It is a nice opportunity to meet the people behind the DIRAC code. There is no registration fee but for organization purposes please let Hans Jørgen know that you want to come.

meeting2019

Anonymous (anonymous@undisclosed.example.com) — 2019-05-28T11:20:48+00:00

22nd DIRAC Working Group Meeting 2019, Odense, May 26th - 29th (Arrival May 25th) Location FKF kollokvierum ( Where is that room?) For new people The DIRAC meeting is a family reunion for DIRAC developers and DIRAC friends. It is a nice opportunity to meet the people behind the DIRAC code.

meeting2020

Anonymous (anonymous@undisclosed.example.com) — 2020-06-05T13:13:11+00:00

23rd DIRAC Working Group Meeting 2020, virtual via ZOOM, June 3rd - 6th Location ZOOM. To participate you must register in advance on: Registration for Dirac2020 zoom After your registration has been approved, you will receive a confirmation email containing information about how to join the meeting.

meeting2021

Anonymous (anonymous@undisclosed.example.com) — 2021-05-27T16:05:38+00:00

24th DIRAC Working Group Meeting 2021, virtual via ZOOM, May 25.-28. Location ZOOM (registration required; see DIRAC developers list). For new people The DIRAC meeting is a family reunion for DIRAC developers and DIRAC friends. We will discuss science, but a significant part of the program is reserved to discuss the future of the DIRAC code, programming, code maintenance, release planning, as well as for programming task groups.

meeting2022

Anonymous (anonymous@undisclosed.example.com) — 2022-06-01T11:47:58+00:00

25th DIRAC Working Group Meeting 2022, Odense, May 30th - June 2nd (Arrival May 29th) Location FKF Meeting Room (FKF Møderum Ø10-412-2) To get the SDU map link to the meeting room, type FKF in the search field at this link: SDU Møderum For new people The DIRAC meeting is a family reunion for DIRAC developers and DIRAC friends. It is a nice opportunity to meet the people behind the DIRAC code.

meeting2023

Anonymous (anonymous@undisclosed.example.com) — 2023-06-01T11:20:26+00:00

26th DIRAC Working Group Meeting 2023, Odense, May 30th - June 1st (Arrival May 29th) Location FKF Meeting Room (FKF Møderum Ø10-412-2) To get the SDU map link to the meeting room, type FKF in the search field at this link: SDU Møderum For new people The DIRAC meeting is a family reunion for DIRAC developers and DIRAC friends. It is a nice opportunity to meet the people behind the DIRAC code.

meeting2024

Anonymous (anonymous@undisclosed.example.com) — 2024-06-06T07:33:11+00:00

27th DIRAC Working Group Meeting 2024, Odense, June 4th - June 7th (Arrival June 3rd) Location FKF Meeting Room (FKF Møderum Ø10-412-2) To get the SDU map link to the meeting room, type FKF in the search field at this link: SDU Møderum For DIRAC developers and invited guests, who cannot be present in person:

meeting2025

Anonymous (anonymous@undisclosed.example.com) — 2025-06-03T09:46:39+00:00

28th DIRAC Working Group Meeting 2025, SDU, Odense, DK June 3rd - June 6th (Arrival Monday June 2nd) Location FKF Synergy meeting room (not the same room as 2024! location: Ø10-506-2) To get the SDU map link to the Synergy meeting room, type FKF in the search field at this link:

meeting2026

Anonymous (anonymous@undisclosed.example.com) — 2026-04-10T13:10:04+00:00

29th DIRAC Working Group Meeting 2026, SDU, Odense, DK May 4th - May 8th (Arrival Sunday May 3rd) Location FKF Synergy meeting room (same room as 2025, location: Ø10-506-2) To get the SDU map link to the Synergy meeting room, type FKF in the search field at this link:

previous_meetings

Anonymous (anonymous@undisclosed.example.com) — 2024-01-22T16:00:42+00:00

DIRAC Working Group Meetings: Archive * 2021 * 2020 * 2019 * 2018 * 2017 * 2016 * 2015 * 2014

publications

Anonymous (anonymous@undisclosed.example.com) — 2026-02-16T16:34:03+00:00

Publications related to DIRAC development 2026 * J. Brandejs, N. Hörnblad, E. F. Valeev, A. Heinecke, J. Hammond, D. Matthews, P. Bientinesi, Tensor Algebra Processing Primitives (TAPP): Towards a Standard for Tensor Operations arXiv:2601.07827 (2026)

sidebar

Anonymous (anonymous@undisclosed.example.com) — 2026-02-25T12:20:29+00:00

Getting started * Features * Installation * Known Issues Manual * DIRAC26 Basis sets * Dyall basis sets * dz to 4z * 5z s-block * 5z p-block About us * Authors * Dissertations * Publications * Cite us * Bluesky * Mastodon * twitter / X * DIRAC map Getting help * Mailing list For developers * Internal documentation * Development code manual * How to work with git DIRAC Working Group Meetings * 2026 * 2026 January hackathon * 2025 *

start

Anonymous (anonymous@undisclosed.example.com) — 2026-04-17T12:46:45+00:00

DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations 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.