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.
For new people
The DIRAC meeting is a family reunion for DIRAC developers and
DIRAC friends. Dirac users are very welcome to participate, it is a nice opportunity to meet the people behind
the DIRAC code. There is no registration fee but you need to register on the link above to get access to
the online meeting over zoom.
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. (Send an e-mail to Hans Jørgen using hjj at sdu.dk if you do not have editing permission to this page.)
Participants (please add yourself)
Hans Jørgen Aa. Jensen, Odense
Trond Saue, Toulouse
Andre Gomes, Lille
Xiang Yuan, Lille
Loic Halbert, Lille (partially)
Gabriel Cesar Pereira, Lille
Wilken Misael, Lille
Richard Opoku, Lille
Lucas Visscher, Amsterdam
Agustín Aucar, Corrientes
Elke Fasshauer, Aarhus
Paul Bagus, UNT Texas
Johann Pototschnig, Amsterdam
Ayaki Sunaga, Osaka
Gosia Olejniczak, Warsaw
Pi Haase, Groningen
Erik Hedegård, Lund (on-and-off due to student projects)
Miroslav Iliaš, Banská Bystrica
Stan Papadopoulos, Mülheim an der Ruhr
Martin van Horn, Amsterdam
Avijit Shee, Ann Arbor
Radovan Bast, Tromsø
Malaya K. Nayak, Mumbai
Eugene Gvozdetsky, Amsterdam
Ephraim Eliav, Tel Aviv
Alexander Oleynechenko, Moscow
Andrey Zaitsevsky, Moscow
Chima Chibueze, Amsterdam
Juan J. Aucar, Corrientes
Yuly Chamorro Mena, Groningen
Andy Zapata, Corrientes
—-
Work tasks (please add tasks)
Go through issue list on dirac-gitlab
Discuss public release of Dirac in 2020, when and how
Codata (move to 2018 version)
Add missing information to DFCOEF (or possibly a new restart file)
Possible items for the meeting, to be scheduled later
Please sign up for your presentation (one or possibly two, if different topics) in one of the free 30 min time slots below, you can also add it here if you will let the organizers determine your time slot. Plan you presentation to 20 min, leaving 7 min for discussion and 3 min for changing speaker.
“Technical talks” refer to talks about development tools, “how to” etc.
Wednesday June 3
The state of affairs, mostly for active Dirac developers, but all please join for the Opening and Introduction !
13:30 – 13:45 – Opening, discussion of meeting program (Hans Jørgen)
13:45 – 14:15 – Introduction round (everybody)
14:15 – 14:45 – Overview of current and planned DIRAC developments by node leaders
14:45 – 15:00 – Task group formation, planning of collaborative work.
15:00 – 15:30 – Coffee/tea/mate break
Science with DIRAC and technical talks
15:30 – 16:00 – Johann Pototschnig, Lucas Visscher: The ExaCorr module.
16:00 – 16:30 – Dmitry Lyakh: The ExaTensor library.
16:30 – 17:00 – Andre Gomes, Loic Halbert : Developments for ground and excited states, first applications with exacorr (and some
EOM-CC results with RELCCSD)
Thursday June 4
* 09:30 – 12:00 Collaborative work (issue fixing, discussions of new methods in Dirac, documentation, tutorials, joint papers, etc.) NOTE: new start time.
Lunch
Science with DIRAC and technical talks
13:30 – 14:00 – Update on task groups/issues
14:00 – 14:30 – Codata and DIRAC
14:30 – 15:00 –
15:00 – 15:30 – Coffee/tea/mate break
15:30 – 16:00 – Trond Saue - Beyond the electric dipole approximation: on the convergence of multipole expansions
16:00 – 16:30 – Maen Salman - Charge conjugation symmetry in the finite basis approximation of the Dirac equation
16:30 – 17:00 – Ayaki Sunaga - Relativistic correlated calculations with effective QED potentials
Friday June 5
Lunch
Technical issues (discussion sessions) & Modules of interest to DIRAC development
13:30 – 14:00 – Update on task groups/issues
14:00 – 14:30 – Radovan: transition to
LGPL and branch cleanup (as basis for collaborative work for Sat June 6)
14:30 – 15:00 – Discussion about Dirac2020 release.
15:00 – 15:30 – Coffee/tea/mate break
15:30 – 16:00 – Bruno Senjean: The ROSE (Reduction of Orbital Space Extent) code
16:00 – 16:30 – Dmitry Lyakh: CC with automated generation of diagrams
16:30 – 17:00 – Andrei Zaitsevskii, Alexander Oleynichenko: Fock Space Relativistic Coupled Clusters for Molecular Excited States. Problems and Workarounds, Relativistic Fock Space Coupled Cluster beyond CCSD: Theory and Implementation
Saturday June 6