Table of Contents
21th DIRAC Working Group Meeting 2018, Odense, May 28th - 31st (Arrival May 27th)
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.
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.
How to get to Odense
Typically you will fly to Copenhagen or Billund and then take the train. From Odense train station you can take the bus or share cab to the DCU-Camping Odense.
- Fynbus web page is here
- regular bus tickets cost DKK 24 for a single ride (including changing lines) and are valid for 1 hour.
- You can buy a public transport card valid in entire Denmark already at the airport in Copenhagen which you can charge and use for all train and bus rides. But without a Danish address you won't be able to get receipt for the different travelled distances. http://www.rejsekort.dk
- arriving by train you can use your train ticket for the bus and get a free ride (to the campground).
- bus routes (line 21)
Participants (please add yourself)
- Hans Jørgen Aa. Jensen, Odense
- Trond Saue, Toulouse
- Luuk Visscher, Amsterdam
- Andre Gomes, Lille
- Tjerk Straatsma, Oak Ridge
- Miro Iliaš, Banská Bystrica
- Pi Haase, Groningen
- Eugene Gvozdetsky, Amsterdam
- Martin van Horn, Amsterdam
- Radovan Bast, Tromsø
- Loic Halbert, Lille
- Yongliang Hao, Groningen
- Erik Kjellgren, Odense
- Gosia Olejniczak, Warsaw
- Andreas Nyvang, Århus (Tuesday)
- Jeppe Olsen, Århus (Tuesday)
- Ayaki Sunaga, Toulouse
- Elke Fasshauer, Aarhus (Tuesday)
Work tasks (please add tasks)
Prologue: Sunday May 27
Monday May 28
The state of affairs
- 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 – 13:30
- 13:30 – 17:30 Collaborative session (joint papers, joint programming efforts). Make your own planning for this. If you have no collaborative efforts there is always quite some work to do on issues fixing and documentation.
- 16:00 – 17:00
Tuesday May 29
Science with DIRAC
- 09:00 – 09:30 The CAAR coupled cluster reimplementation. L. Visscher
- 09:30 – 10:00 EOMCC in Dirac, current status and future directions. A. Shee + A. Gomes
- 10:00 – 10:30 My brand new project - Jeppe
- 10:30 – 11:00 coffee break
- 11:00 – 11:40 Calculating spectra with DIRAC. Eugene Gvozdetsky + Martin van Horn
- 11:40 – 12:10 Electronic structure and properties of MAu and MOH (M=Tl,Nh). M.Iliaš
- 12:10 – 13:30
Technical issues (discussion sessions)
- 13:30 – 14:30 How to release and distribute DIRAC.
- 14:30 – 15:00 Citations, can we have a DOI ?
- 15:00 – 15:30 Code peer review. Experiences with the CI/CD set up and the available runners.
- 15:30 – 16:00 Break
- 16:00 – 16:30 Some technicalities for the DIRAC development. M.Iliaš
- 18:30 Dinner - http://www.grimme-aelling.dk
Wednesday May 30
- 09:00 – 10:00 Start guess and SCF convergence - Luuk
- 10:00 – 10.30 Beyond the electric dipole approximation: radial distributions - Trond
- 11:00 – 11:30 Magnetic properties visualized - Gosia
- 11:30 – 12:00 Solvent effects on NMR shielding of molybdate ions via relativistic Frozen Density Embedding. Loic Halbert
- 13:30 – 14:00 Something about CAAR, ORNL and non-orthogonal CI. Tjerk.
- 14:00 – 17:30 Collaborative work.
Thursday May 31
- 09:00 – 17:30 Collaborative session (joint papers, joint programming efforts).