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: FKF Synergy meeting room

For DIRAC developers and invited guests, who cannot be present in person: Zoom registration link

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 add yourself to the participant list below (send an e-mail to Hans Jørgen using hjj at sdu.dk if you do not have editing permission to this page).

Most people will stay at the campground (more info below). The cabins are very good comfort, not expensive, and it's fun to be there. Book them well in advance.

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.

The meeting program is self-organised, simply add talks and discussion points to the program.

Typically you will i) fly to Copenhagen and then take the train or ii) fly to Billund and then take bus to Vejle plus train Vejle-Odense. From Odense train station you can take bus 35 (in the right direction!) or share cab to the DCU-Camping Odense. If you arrive to Odense by train on a regular train ticket (expensive: 369 DKK), then the bus from the railway station to the camp ground (or any other destination in Odense) is included in the train ticket. If you buy your ticket CPH → Odense St. in advance (e.g. a month) on https://www.dsb.dk/en, then you can buy a “DSB Orange ticket” (non-refundable) or a “DSB Orange Fri ticket” (refundable until 30 min before departure) for from 94 DKK or 157 DKK. They are only valid for a specific train, in contrast to the regular tickets which are valid for any train that day. Local buses are not included in the orange tickets. The closer you come to the travel day, the more expensive the orange tickets become.

Make your cabin reservation at DCU-Camping Odense. The cabins can accommodate 3-4 people so organize with others. Use the dirac-developers mailing list.

A downtown hotel at the railway station: CABINN Odense Hotel. You can find other hotels from around 500 DKK per night by searching google for “hotels Odense” and some BBs to less than 500 DKK. Note that hotels might be cheaper via their own web site than on hotels.com etc.

Revised April 2024 by Hans Jørgen.

• Note that the local bus lines have changed since the tram line was opened, so do not look for the bus numbers you used previously!
• Both the cheapest and the simplest is to use the new “Odense NU” mobile tickets: 15 kr for 26+, 10 kr if you are 25 or younger. They are valid for one hour for both buses and the tram, as long as you stay inside Odense Kommune. You can read the QR code at the tram stops to buy the ticket, or you can download and use the app “Rejsebillet”. Or on https://www.odenseletbane.dk/english.
• In the “Rejsebillet” app (after having added a credit card and switched to English), choose “Special Tickets” and scroll for “Odense NOW”. If you filter “Sold by Fynbus”, it is easier to find it, because there are many special tickets!!!
• Use https://rejseplanen.dk to find your best connection, for example to the campground. The railway station is “Odense St.” and the campground is “DCU-Odense City Camp”.
• Even easier: Download the “Rejseplanen” app and use that. I use it every time I travel in DK!
• Railway station - university: use Odense Letbane (tram, light rail). There is no direct bus connection Railway Station - university any more. Use QR code shown at tram stops or buy with the app “Rejsebillet”.
• A map of all bus lines in Odense can be found here

Please note arrival and departure if you will not participate the whole time.

1. Hans Jørgen Aa. Jensen, Odense
2. Trond Saue, Toulouse
3. Andre Gomes, Lille
4. Lucas Visscher, Amsterdam
5. Erik D. Hedegård, Odense (on and off)
6. Lena Nguyen, Odense
7. Maxime Le, Lille
8. Fernando Mata Rabadan, Lille (online)
9. Yuly Chamorro, Toulouse
10. Martin van Horn, Amsterdam
11. Agustín Aucar, Corrientes (online)
12. Jan Brandejs, Toulouse (online) note: I have to skip Monday.
13. Gosia Olejniczak, Warsaw (online, on and off)

—-

• Go through issues list
• Update user documentation

—-

• Choice of tensor contraction library for CC through TAPP
• What to do with code no longer maintained ?

• Arrival
• 19:30 Oriental Barbecue House (Slotsgade 20)

• 09:00 – 09:15 Opening, discussion of meeting program (Hans Jørgen)
• 09:15 – 09:30 Introduction round (everybody)
• 09:30 – 11:30 Overview of current and planned DIRAC developments by node leaders
• 11:30 – 12:00 Task group formation

• 12:00 – 13:00

• 13:00 – 17.30 Work on issues and user documentation

• 09:00 – 09:30 ASE extensions (Fernando)
• 09:30 – 10:00
• 10:00 – 11:00 Coffee break and group picture
• 11:00 – 12:00 – no program as Andre & Jan need to attend hackathon –

• 12:10 – 13:30

• 13:30 – 14:00 AI coding agents applied to DIRAC: Lucas Visscher
• 14:00 – 14:30 Modules and utility routines (Trond)
• 14:30 – 15:00

• 16:00 – 17:30

• 20:00 Papas Papbar (we can grab some food in the city center before)

• 09:00 – 09:30 Use of Cholesky transformation in Dirac (Andre, Luuk)
• 09:30 – 10:00 Using basis sets for correlation - things to do and things to avoid. (Ken Dyall, online)
• 10:00 – 10:30 Coffee break
• 10:30 – 11:00 Intrinsic and applied momentum cutoff in Gaussian basis (Trond)
• 11:30 – 12:00 Electric field gradient: computational considerations (Yuly)

• 12:10 – 13:30

• 13:00 – 13.30 State of affairs wrt transition to TAPPhttps://github.com/TAPPorg/tensor-interfaces
• 13:30 – 14:30 Restart scheme for ExaCorr (where we are, where we're going)
• 14:30 – 15.15 Development planning (who does what)

• 15:15 – 17:30 (Luuk has zoom 16:30-17:00)

• 19:30 Dinner at Storms Pakhus

• 09:00 – 09:30 On-top pair density (Erik)
• 09:30 – 10:00 Post-SCF virtual manipulation (Luuk, Ken, Trond: discussion)
• 10:00 – 10:30 Coffee break
• 10:30 – 11:00
• 11:00 – 11:30
• 11:00 – 12:00

• 12:10 – 13:30

• 13:30 – 14:00
• 14:00 – 15:00 Notebook for orbital visualization (Fernando, Gosia, Luuk)

• 15:00 – 17:30

• Collaborative session (joint papers, joint programming efforts).
• 09:00 – 09:30
• 09:30 – 10:00
• 10:00 – 10:30 Coffee break
• 10:30 – 11:00
• 11:00 – 11:30
• 11:00 – 12:00 Collaborative work (or more talks)

André:

• magnetic properties (cc)

Erik:

• Merging CAS methods with DFT (Pair-density functional theory)
• New postdoc position on this topic

Martin:

• Combining relativity with non-adiabatic dynamics
• Variational methods in dynamics
• DIRAC: MCSCF without symmetry

Trond:

• ERC project
• tensor libraries (Jan Brandejs)
• QED in Gaussian basis set (only one set needed for various kappa values)
• Ozaki scheme

Luuk:

• CC-related projects
• Export slater-based integrals from ADF to use in TenPy (Jan)
• RPA-like methods, GW vertex corrections and downfolding methods (Arno)
• Quantum eigensolver
• VCD
• machinge learning
• molecules in strong magnetic fields (Ansgar)
• collaboration with Xiaosong Li
• Rose
• collaboration with Kenn Dyall

Hans-Jørgen:

• g-tensor/hyperfine tensor triplet and quartet systems
• RelQC in quantum computing
• code maintenance DIRAC

• Cmake revision PE module, Tensor Libraries setup (Erik, Luuk, Andre, Hans-Jørgen)
• C1-MCSCF (Martin, HJJ, Trond)
• hdf5 Fortran wrapper (Erik, Luuk, Andre, Hans-Jørgen)
• ROSE as subtree (Luuk, HJJ)
• Visualization in a notebook (Fernando, Erik, Luuk, Gosia)