meeting2025
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meeting2025 [2025/02/07 14:04] – [Participants (please add yourself)] visscher | meeting2025 [2025/06/03 09:46] (current) – [Wednesday June 4] jbrandejs | ||
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==== Location ==== | ==== Location ==== | ||
- | //FKF Synergy meeting room// (not the same as 2024! location: Ø10-506-2) | + | //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: [[https:// | To get the SDU map link to the Synergy meeting room, type FKF in the search field at this link: [[https:// | ||
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- Hans Jørgen Aa. Jensen, Odense | - Hans Jørgen Aa. Jensen, Odense | ||
- Trond Saue, Toulouse | - Trond Saue, Toulouse | ||
- | - Ayaki Sunaga, Budapest | + | - Ayaki Sunaga, Budapest |
- Dávid Ferenc, Toulouse | - Dávid Ferenc, Toulouse | ||
- Andre Gomes, Lille | - Andre Gomes, Lille | ||
- Agustín Aucar, Groningen | - Agustín Aucar, Groningen | ||
- Lucas Visscher, Amsterdam | - Lucas Visscher, Amsterdam | ||
+ | - Jan Brandejs, Toulouse | ||
+ | - Radovan Bast, Tromsø | ||
+ | - Gosia Olejniczak, Warsaw | ||
+ | - Erik D. Hedegård, Odense | ||
+ | - Ernst D. Larsson, Odense | ||
+ | - Lena Nguyen, Odense | ||
---- | ---- | ||
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* Go through issues list | * Go through issues list | ||
- | * All executables link to all object files. Is this really needed ? | + | * Update user documentation -- there are still quite a few references |
* Can keyword .OPERATOR also refer to pre-defined operators ? | * Can keyword .OPERATOR also refer to pre-defined operators ? | ||
- | * Update documentation on release preparation | + | * Update |
+ | * How to deal with setting the runtime environment correctly (openmp, gpu use) | ||
+ | * Use subtree instead of submodule (suggestion hjaaj) | ||
+ | * New testboard.org ? (cf. dirac-developers mail from Radovan 10.Mar.2025) | ||
+ | * Get KR-MCSCF working in C1 symmetry ... | ||
+ | * Checkpoint file: should we distinguish 4c vs 2c. MCSCF orbitals. Atomic vs. linear symmetry | ||
+ | * unified tensor type tests -- towards merge -- probably needs 2 sessions as things develop | ||
+ | * x2c multithreading bug | ||
---- | ---- | ||
==== Possible items for the meeting, to be scheduled later ==== | ==== Possible items for the meeting, to be scheduled later ==== | ||
+ | - Possibility to use predefined operators under .OPERATOR | ||
- | ---- | + | - Jupyter notebooks for demonstration and python bindings in general |
==== Prologue: Monday June 2 ==== | ==== Prologue: Monday June 2 ==== | ||
* Arrival | * Arrival | ||
- | * 19:30 [[http:// | + | * 19:30 [[http:// |
---- | ---- | ||
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=== Lunch === | === Lunch === | ||
- | * 12:00 -- 13:30 | + | * 12:00 -- 13:00 |
---- | ---- | ||
- | === Discussions - Focus on ExaCorr | + | === Discussions - Focus on ExaCorr === |
- | * 13:30 -- 14:30 State of affairs wrt dependencies and efficiency. | + | * 13:00 -- 13.30 Jupyter notebooks for demonstration and python bindings in general |
- | * 14:30 -- 15.15 | + | * 13:30 -- 14:30 State of affairs wrt transition to TAPP[[https:// |
- | * 15:15 -- 15:45 | + | * 14:30 -- 15.15 Desired features on top of TAPP: symmetry, denominate, rank reduction, ... |
+ | * 15:15 -- 15:45 Development planning (who does what) | ||
| | ||
- | | + | |
* 15.45 -- 17.30 | * 15.45 -- 17.30 | ||
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=== Science with DIRAC === | === Science with DIRAC === | ||
- | * 09:00 -- 09:30 < | + | * 09:00 -- 09:30 Adsorption energies calculations of Hg,Cn,Fl and Pb attached to a Selenium surface |
- | * 09:30 -- 10:00 < | + | * 09:30 -- 10:00 Towards rigorous QED corrections in diatomic molecules |
* 10:00 -- 11:00 Coffee break and group picture | * 10:00 -- 11:00 Coffee break and group picture | ||
- | * 11:00 -- 11:30 < | + | * 11:00 -- 11:30 Linear dependency |
- | * 11:30 -- 12:00 < | + | * 11:30 -- 12:00 Fermi-type nuclear model -- Ayaki Sunaga |
* | * | ||
=== Lunch === | === Lunch === | ||
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* 12:10 -- 13:30 | * 12:10 -- 13:30 | ||
- | === | + | === |
- | * 13:30 -- 15:30 ? Presentation of the various models, discussion about interfaces etc | + | * 13:30 -- 14:00 Can keyword .OPERATOR also refer to pre-defined operators |
+ | * 14:00 -- 14:30 HDF5 | ||
+ | * 14:30 -- 15:00 PE library | ||
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* 16:00 -- 17: | * 16:00 -- 17: | ||
+ | === Board game night === | ||
+ | * 19:30 [[https:// | ||
==== Thursday June 5 ==== | ==== Thursday June 5 ==== | ||
=== Science with DIRAC === | === Science with DIRAC === | ||
- | * 09:00 -- 09:30 < | + | * 09:00 -- 09:30 Gitlab as host |
- | * 09:30 -- 10:00 < | + | * 09:30 -- 10:00 Modernizing our cmake setup |
* 10:00 -- 10:30 Coffee break | * 10:00 -- 10:30 Coffee break | ||
- | * 10:30 -- 11:00 < | + | * 10:30 -- 11:00 TAPP -- Jan Brandejs |
- | * 11:00 -- 11:30 < | + | * 11:00 -- 11:30 Response properties with Coupled Cluster |
* 11:00 -- 12:00 Collaborative work (or more talks) | * 11:00 -- 12:00 Collaborative work (or more talks) | ||
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=== Technical issues (discussion sessions) === | === Technical issues (discussion sessions) === | ||
- | * 13:30 -- 14:00 Gitlab as host | + | * 13:30 -- 14:00 (collaboration, |
* 14:00 -- 14:30 | * 14:00 -- 14:30 | ||
* 14:30 -- 15:00 | * 14:30 -- 15:00 | ||
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=== Meeting dinner === | === Meeting dinner === | ||
- | * 19:30 Dinner at [[https:// | + | * 19:30 Dinner at [[https:// |
==== Friday June 6 (bonus) ==== | ==== Friday June 6 (bonus) ==== | ||
- | * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts). | + | * Collaborative session (joint papers, joint programming efforts). |
+ | * 09:00 -- 09:30 Checkpoint files | ||
+ | * 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) |
meeting2025.1738937095.txt.gz · Last modified: 2025/02/07 14:04 by visscher