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meeting2025 [2025/06/03 07:58] – [Thursday June 5] aspgmeeting2025 [2025/06/03 09:46] (current) – [Wednesday June 4] jbrandejs
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   * New testboard.org ? (cf. dirac-developers mail from Radovan 10.Mar.2025)   * New testboard.org ? (cf. dirac-developers mail from Radovan 10.Mar.2025)
   * Get KR-MCSCF working in C1 symmetry ...   * 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
  
 ---- ----
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 === Lunch === === Lunch ===
  
-  * 12:00 -- 13:30+  * 12:00 -- 13:00
  
 ---- ----
  
 ===  Discussions - Focus on ExaCorr === ===  Discussions - Focus on ExaCorr ===
 +   * 13:00 -- 13.30 Jupyter notebooks for demonstration and python bindings in general
    * 13:30 -- 14:30 State of affairs wrt transition to TAPP[[https://github.com/TAPPorg/tensor-interfaces]]     * 13:30 -- 14:30 State of affairs wrt transition to TAPP[[https://github.com/TAPPorg/tensor-interfaces]] 
    * 14:30 -- 15.15 Desired features on top of TAPP: symmetry, denominate, rank reduction, ...    * 14:30 -- 15.15 Desired features on top of TAPP: symmetry, denominate, rank reduction, ...
    * 15:15 -- 15:45 Development planning (who does what)    * 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 Towards rigorous QED corrections in diatomic molecules -- Dávid Ferenc   * 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
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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 Adsorption energies calculations of Hg,Cn,Fl and Pb attached to a Selenium surface -- Miro Ilias (Zoom talk) +  * 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 TAPP -- Jan Brandejs   * 10:30 -- 11:00 TAPP -- Jan Brandejs
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   * 13:30 -- 14:00 (collaboration, Hans Jørgen has an exam)   * 13:30 -- 14:00 (collaboration, Hans Jørgen has an exam)
-  * 14:00 -- 14:30 Gitlab as host +  * 14:00 -- 14:30  
-  * 14:30 -- 15:00 Modernizing our cmake setup+  * 14:30 -- 15:00 
  
 === Collaborative work === === Collaborative work ===
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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]]
-hjaaj: maybe buffet at Flammen [[https://restaurant-flammen.dk]] ?+
  
 ==== 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)
meeting2025.1748937512.txt.gz · Last modified: 2025/06/03 07:58 by aspg

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