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meeting2025 [2025/02/07 14:04] – [Participants (please add yourself)] visschermeeting2025 [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://clients.mapsindoors.com/sdu/573f26e4bc1f571b08094312/details/563cb992423b7d0540c9a84c| FKF Synergy meeting room]] To get the SDU map link to the Synergy meeting room, type FKF in the search field at this link: [[https://clients.mapsindoors.com/sdu/573f26e4bc1f571b08094312/details/563cb992423b7d0540c9a84c| FKF Synergy meeting room]]
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   - Hans Jørgen Aa. Jensen, Odense   - Hans Jørgen Aa. Jensen, Odense
   - Trond Saue, Toulouse   - Trond Saue, Toulouse
-  - Ayaki Sunaga, Budapest (if possible)+  - 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 filesIs this really needed ?+  * Update user documentation -- there are still quite a few references to DFCOEF file ...
   * Can keyword .OPERATOR also refer to pre-defined operators ?   * Can keyword .OPERATOR also refer to pre-defined operators ?
-  * Update documentation on release preparation+  * Update developer documentation on release preparation 
 +  * 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://www.orientalbarbecue.dk|Oriental Barbecue House (Slotsgade 20)]] - booked for ??? persons, Reservation ?????? (LV)+  * 19:30 [[http://www.orientalbarbecue.dk|Oriental Barbecue House (Slotsgade 20)]] - booked for persons, Reservation in my name (TS).
  
 ---- ----
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 === Lunch === === Lunch ===
  
-  * 12:00 -- 13:30+  * 12:00 -- 13:00
  
 ---- ----
  
-===  Discussions - Focus on ExaCorr (copied from 2024)=== +===  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://github.com/TAPPorg/tensor-interfaces]]  
-   * 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)
      
- ===  Online Session === + ===  Workgroup Session === 
    * 15.45 -- 17.30     * 15.45 -- 17.30 
  
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 === Science with DIRAC === === Science with DIRAC ===
  
-  * 09:00 -- 09:30 <TITLE> -- <PRESENTER> +  * 09:00 -- 09:30 Adsorption energies calculations of Hg,Cn,Fl and Pb attached to a Selenium surface -- Miro Ilias (Zoom talk) 
-  * 09:30 -- 10:00 <TITLE> -- <PRESENTER>+  * 09:30 -- 10:00 Towards rigorous QED corrections in diatomic molecules -- Dávid Ferenc
   * 10:00 -- 11:00 Coffee break and group picture   * 10:00 -- 11:00 Coffee break and group picture
-  * 11:00 -- 11:30 <TITLE> -- <PRESENTER> +  * 11:00 -- 11:30 Linear dependency -- Trond Saue 
-  * 11:30 -- 12:00 <TITLE> -- <PRESENTER>+  * 11:30 -- 12:00 Fermi-type nuclear model -- Ayaki Sunaga
   *    * 
 === Lunch  === === Lunch  ===
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   * 12:10 -- 13:30   * 12:10 -- 13:30
  
-===  ??? ===  +===  Discussion session  ===  
-   * 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 -- 17:30     * 16:00 -- 17:30  
  
 +=== Board game night  ===
  
 +  * 19:30 [[https://maps.app.goo.gl/sQht3pGUGkp8b9QP9|Papas Papbar]] (we can grab some food in the city center before)
 ==== Thursday June 5 ==== ==== Thursday June 5 ====
  
 === Science with DIRAC === === Science with DIRAC ===
  
-  * 09:00 -- 09:30 <TITLE> -- <PRESENTER> +  * 09:00 -- 09:30 Gitlab as host 
-  * 09:30 -- 10:00 <TITLE> -- <PRESENTER>+  * 09:30 -- 10:00 Modernizing our cmake setup
   * 10:00 -- 10:30 Coffee break   * 10:00 -- 10:30 Coffee break
-  * 10:30 -- 11:00 <TITLE> -- <PRESENTER> +  * 10:30 -- 11:00 TAPP -- Jan Brandejs 
-  * 11:00 -- 11:30 <TITLE> -- <PRESENTER>+  * 11:00 -- 11:30 Response properties with Coupled Cluster -- Andre Gomes
   * 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, Hans Jørgen has an exam)
   * 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://stormspakhus.dk/|Storms Pakhus]] ??? or somewhere else this year?+  * 19:30 Dinner at [[https://stormspakhus.dk/|Storms Pakhus]]
  
 ==== 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

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