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meeting2019 [2019/04/16 16:16]
hjaaj [Participants (please add yourself)]
meeting2019 [2019/05/28 13:20] (current)
tsaue [Tuesday May 28]
Line 67: Line 67:
   -   ​Miroslav Ilias, Banska Bystrica   -   ​Miroslav Ilias, Banska Bystrica
   -   ​Michal Repisky, Tromsø   -   ​Michal Repisky, Tromsø
-  -   Erik Hedegård, Lund +  -   Erik Hedegård, Lund (from 25.05 to 27.05 evening). 
-  -   Joel Creutzberg, Lund+  -   Joel Creutzberg, Lund (from 25.05 to 28.05 evening)
   - Johann Pototschnig,​ Amsterdam   - Johann Pototschnig,​ Amsterdam
-  - Timo Fleig, Toulouse+  - Timo Fleig, Toulouse ​[ill, can not come]
   - Anna Kristina Schnack-Petersen,​ Copenhagen   - Anna Kristina Schnack-Petersen,​ Copenhagen
   - Sasan Moradi, Iran   - Sasan Moradi, Iran
 +  - Gosia Olejniczak, Warsaw
 +  - Erik Kjellgren, Odense
 +  - Peter Reinholdt, Odense
 +  - Eugene Gvozdetsky, Amsterdam
 +  - Elke Fasshauer (tuesday afternoon)
 ---- ----
 ==== Work tasks (please add tasks) ==== ==== Work tasks (please add tasks) ====
  
   * Evaluating and (possibly) improving/​updating cmake setup structure   * Evaluating and (possibly) improving/​updating cmake setup structure
- +  * Finish ExaCorr-ReSpect interface (Stan, Michal) 
 +  * Work on Incite proposal 
 +  * Problems with documentation build: Could not import extension matplotlib.sphinxext.only_directives (exception: No module named '​matplotlib.sphinxext.only_ 
 +  * Testing set up (more runners, only test master)
  
 ==== Possible items for the meeting, to be scheduled later ==== ==== Possible items for the meeting, to be scheduled later ====
Line 111: Line 119:
 === Science with DIRAC === === Science with DIRAC ===
  
-  * 09:00 -- 09:30  +  * 09:00 -- 09:30 Loïc Halbert / Andre Gomes - Approximate EOM-CCSD 
-  * 09:30 -- 10:00  +  * 09:30 -- 10:00 Joel Creutzberg - TBA 
-  * 10:00 -- 10:30 +  * 10:00 -- 10:30 Marta L. Vidal - CVS-EOM-CC to Study X-Ray Spectroscopy
   * 10:30 -- 11:00 coffee break   * 10:30 -- 11:00 coffee break
-  * 11:00 -- 11:40  +  * 11:00 -- 11:30 Miroslav Iliaš - Theoretical Study of Molecular and Adsorption Properties of Group 6, 7 and 8 Heavy and Super-heavy Metal Carbonyls ​ 
-  * 11:40 -- 12:10 +  * 11:30 -- 12:00 Johann Pototschnig - Towards Coupled Cluster for Lanthanides
    
 === Lunch  === === Lunch  ===
Line 122: Line 130:
   * 12:10 -- 13:30   * 12:10 -- 13:30
  
-=== Technical issues ​(discussion sessions) ===+=== Science with DIRAC (afternoon)===
  
-  * 13:30 -- 14:30  +  * 13:30 -- 14:00 Stan Papadopoulos ​Coupled-Cluster with ExaTENSOR/​TAL-SH 
-  * 14:30 -- 15:00  +  * 14:00 -- 17:30 Collaborative work.
-  * 15:00 -- 15:30  +
-  * 15:30 -- 16:00 Break +
-  * 16:00 -- 16:30 +
  
-=== Meeting dinner ​=== +=== Coupled Cluster in DIRAC === 
- +  * 16:00 -- 17:00 Discussion on synchronizing our efforts (Avijit Shee also joins via skype)
-  * 18:30 Dinner ​+
  
 ==== Tuesday May 28 ==== ==== Tuesday May 28 ====
  
-  * 09:00 -- 10:00  +  * 09:00 -- 09:30 "​Molecular calculations with effective QED potentials",​ Ayaki Sunaga 
-  * 10:00 -- 10.30  +  * 09:30 -- 10:00 "​Free-particles and charge conjugation in the finite basis approximation",​ Maen Salman 
-  * 11:00 -- 11:30  +  * 10:00 -- 10.30 "From the Dirac equation to QED:, Alexander Efremov 
-  * 11:30 -- 12:00 +  * 11:00 -- 11:30 "​Visualization in chemistry - the Topological Data Analysis perspective",​ Gosia Olejniczak 
 +  * 11:30 -- 12:00 "​Finite field results for hyperfine constants with CC and FSCC", Pi Haase
  
-  ​* 13:30 -- 14:00  +=== Technical issues (discussion sessions) === 
-  * 14:00 -- 17:30 Collaborative work.+ 
 +  ​* 13:30 -- 14:00 Use of BLAS/LAPACK (technical / licensing issues) 
 +  * 14:00 -- 14:30 Open science, open source, and DIRAC (Radovan) 
 +  * 14:30 -- 15:00 Parselglossy:​ Generic input parsing library, speaking in tongues (Radovan) 
 + 
 +=== Collaborative work === 
 +  * 15:00 -- 15:30 Skype session with Dmitry Lyakh about Incite (PIs for this) 
 +  * 15:00 -- 15:30 Break (others) 
 + 
 + 
 +  * 16:00 -- 17:30 Discussion about Dirac19 release
    
 +=== Meeting dinner ===
 +
 +  * 19:00 Dinner at [[https://​stormspakhus.dk/​en/​|Storms Pakhus]] (close to the railway station)
  
 ==== Wednesday May 29 ==== ==== Wednesday May 29 ====
  
   * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts). ​   * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts). ​
meeting2019.1555424171.txt.gz · Last modified: 2019/04/16 16:16 by hjaaj