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meeting2022 [2022/03/12 21:15] – [Participants (please add yourself)] erik.hedegard_teokem.lu.semeeting2022 [2022/06/01 13:47] (current) – [Participants (please add yourself)] visscher
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 ==== Location ==== ==== Location ====
  
-to be announced+FKF Meeting Room (FKF Møderum  Ø10-412-2) 
 + 
 +To get the SDU map link to the meeting room, type FKF in the search field at this link: [[https://clients.mapsindoors.com/sdu/573f26e4bc1f571b08094312/search?cat=meetingroom| SDU Møderum]] 
  
 ==== For new people ==== ==== For new people ====
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   -   Hans Jørgen Aa. Jensen, Odense   -   Hans Jørgen Aa. Jensen, Odense
   -   Trond Saue, Toulouse   -   Trond Saue, Toulouse
-  - Ayaki Sunaga, Kyoto+  - Ayaki Sunaga, Kyoto (online)
   - Andre Gomes, Lille   - Andre Gomes, Lille
   - Xiang Yuan, Lille   - Xiang Yuan, Lille
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   - Erik Hedegård, Odense   - Erik Hedegård, Odense
   - Joel Creutzberg, Lund   - Joel Creutzberg, Lund
 +  - Mauricio Rodríguez-Mayorga, Amsterdam
 +  - Maen Salman, Toulouse
 +  - Jan Brandejs, Toulouse
 +  - Johann Pototschnig, Toulouse
 +  - Gosia Olejniczak, Warsaw (online)
 +  - Stefan Knecht (online)
 +  - Lucas Visscher
 ---- ----
 ==== Work tasks (please add tasks) ==== ==== Work tasks (please add tasks) ====
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 ---- ----
-  * 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 21 ====+=== ExaCorr discussions === 
 +   * 13:30 -- 14:00 (re)design considerations -- Lucas Visscher 
 +   * 14:00 -- 14.30 Exacorr updates -- Andre Gomes 
 +   * 14:30 -- 15.15 Programming environment for CC developments (formula generation, tensor libraries) -- Jan Brandejs 
 +   * 15.15 -- 17.30 Exacorr related programming/discussion tasks 
 +  
 +---- 
 + 
 +=== Collaborative session === 
 +   * 13:30 -- 17:30 For those not involved in ExaCorr. 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. 
 + 
 + 
 +==== Tuesday May 31 ====
  
 === Science with DIRAC === === Science with DIRAC ===
  
-  * 09:00 -- 09:30  +  * 09:00 -- 09:30 Basis Set Requirements of Non-Dipolar Effects - Martin van Horn 
-  * 09:30 -- 10:00  +  * 09:30 -- 10:00 Polarizable Embedding with the Relativistic Complex Polarization Propagator - Joel Creutzberg 
-  * 10:00 -- 10:30 +  * 10:00 -- 10:30 Relativistic effects on electronic pair densities: an intracule and extracule probability densities perspective - Mauricio Rodríguez-Mayorga
   * 10:30 -- 11:00 coffee break   * 10:30 -- 11:00 coffee break
-  * 11:00 -- 11:30  +  * 11:00 -- 11:30 ExaCorr updates: MP2 Frozen natural orbitals - Xiang Yuan 
-  * 11:30 -- 12:00 +  * 11:30 -- 12:00 Vacuum polarization correction to the Dirac theory - Maen Salman
    
 === Lunch  === === Lunch  ===
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 === Science with DIRAC (afternoon)=== === Science with DIRAC (afternoon)===
  
-  * 13:30 -- 14:00  +  * 13:30 -- 14:15 Discussion: Tailored CC -- Jan Brandejs (hybrid session with Jiri Pittner)  
-  * 14:00 -- 17:30 Collaborative work.+  * 14:30 -- 16:00 Collaborative work. 
 +      * 14:30 - 16:00 MCSCF guided tour (HJJ, Martin, Trond) 
  
-=== Coupled Cluster in DIRAC === +=== DIRAC release === 
-  * 16:00 -- 17:00 + 
 +  * 16:00 -- 17:30 Discussion about Dirac23 release.  
 + 
 +  
 +=== Meeting dinner === 
 + 
 +  * 19:45 Dinner at [[https://stormspakhus.dk/|Storms Pakhus]]
  
 ==== Wednesday June 1 ==== ==== Wednesday June 1 ====
  
-  * 09:00 -- 09:30  +  * 09:00 -- 09:30 Discuss simplified installation using Conda (or similar, e.g. Spack) -- Lucas Visscher 
-  * 09:30 -- 10:00  +  * 09:30 -- 10:00 Gitlab changes -- what do we need to do ? -- Lucas Visscher 
-  * 10:00 -- 10.30  +  * 10:00 -- 10.30 Discussion - design patterns for handling real-space data (refactoring VISUAL module) - Gosia (online); [[https://hackmd.io/@gosia/Bk25mkADc|Link to notes]] 
-  * 11:00 -- 11:30  +  * 11:00 -- 11:30 Breit Term - A Classical Viewpoint -- Johann Pototschnig 
-  * 11:30 -- 12:00 +  * 11:30 -- 12:00  IT-students in the DIRAC service -- Miro Iliaš (via Zoom)
  
 === Technical issues (discussion sessions) === === Technical issues (discussion sessions) ===
  
-  * 13:30 -- 14:00  +  * 13:30 -- 15:00 
-  * 14:00 -- 14:30  +
-  * 14:30 -- 15:00 +
 === Collaborative work === === Collaborative work ===
-  * 15:00 -- 15:30 +  * 15:00 -- 17:30 
-  * 16:00 -- 17:30 Discussion about Dirac19 release.  +
-  +
-=== Meeting dinner === +
- +
-  * 19:00 Dinner at ???+
  
 ==== Thursday June 2 ==== ==== Thursday June 2 ====
  
   * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts).    * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts). 
meeting2022.1647116115.txt.gz · Last modified: 2022/03/12 21:15 by erik.hedegard_teokem.lu.se

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