meeting2014
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meeting2014 [2014/06/28 10:48] – bast | meeting2014 [2014/06/29 14:09] – [Sunday June 29] visscher | ||
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* Elke Faßhauer, Heidelberg | * Elke Faßhauer, Heidelberg | ||
* Kenneth Ruud, Tromsø | * Kenneth Ruud, Tromsø | ||
- | * Carlos | + | * Carlos Giménez, Corrientes |
* Agustín Aucar, Corrientes | * Agustín Aucar, Corrientes | ||
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==== Work tasks (please add tasks) ==== | ==== Work tasks (please add tasks) ==== | ||
+ | * Merge code to calculate XPS and XAS intensities to DIRAC. | ||
+ | * Examine active branches and remove stale ones. | ||
* Merge qdiag branch to master. | * Merge qdiag branch to master. | ||
* Start guess: | * Start guess: | ||
- automatize atomic start | - automatize atomic start | ||
- start 4c/2c-SCF from 1c-SCF | - start 4c/2c-SCF from 1c-SCF | ||
- | * Convergence Problems | ||
- | - Possible Use For Dynamic Damping | ||
- | - Use of Level Shifts | ||
* 4-c CC analytic gradient implementation with general purpose tensor contraction routines. | * 4-c CC analytic gradient implementation with general purpose tensor contraction routines. | ||
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* 13:30 -- 14:00 Timo Fleig: Modified upper bound on the electron' | * 13:30 -- 14:00 Timo Fleig: Modified upper bound on the electron' | ||
* 14:00 -- 14:30 Paul Bagus: NEXAFS with Dirac - Couple Spin-Orbit & Ligand Field Splittings | * 14:00 -- 14:30 Paul Bagus: NEXAFS with Dirac - Couple Spin-Orbit & Ligand Field Splittings | ||
- | === Break === | ||
- | |||
- | * 14:30 -- 15:00 | ||
- | |||
- | === DIRAC14 release === | ||
- | |||
- | * 15:00 -- 16:00 Planning the next release (timeline and features; discussion) | ||
- | |||
- | === Unallocated === | ||
- | |||
- | * 16:00 -- 18:00 | ||
=== Recreation === | === Recreation === | ||
- | * 19:00 Soccer match | + | * 18:00 Football (couch) |
+ | * 20:00 Football (real) | ||
---- | ---- | ||
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==== Sunday June 29 ==== | ==== Sunday June 29 ==== | ||
- | === Science with DIRAC === | + | === DIRAC14 release |
- | * 09:00 -- 09:30 Agustin Aucar: The nuclear spin-rotation constant in a relativistic framework | + | * 09:00 -- 10:30 Planning the next release (timeline |
- | * 09:30 -- 10:00 Avijit Shee: add title | + | |
- | * 10:00 -- 10:30 Trond Saue: X-ray absorption spectra | + | |
=== Programming techniques and workflows === | === Programming techniques and workflows === | ||
* 10:30 -- 11:00 Managing complexity: What we can learn from functional programming (Radovan Bast) | * 10:30 -- 11:00 Managing complexity: What we can learn from functional programming (Radovan Bast) | ||
- | + | | |
- | === Unallocated === | + | |
- | + | ||
- | | + | |
=== Lunch === | === Lunch === | ||
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* 13:00 -- 13:30 The fears and benefits of open source development (Radovan Bast) | * 13:00 -- 13:30 The fears and benefits of open source development (Radovan Bast) | ||
- | === Unallocated | + | === Science with DIRAC === |
+ | |||
+ | * 13:30 -- 14:00 Agustin Aucar: The nuclear spin-rotation constant in a relativistic framework | ||
+ | * 14:00 -- 14:30 Mickaël Hubert: Diatomics excitation energies and spectroscopy with Rel-GASCC | ||
+ | * 14:30 -- 15:00 Trond Saue: X-ray absorption spectra and covalency | ||
+ | |||
+ | === Convergence | ||
- | * 13:30 -- 18:00 | + | * 15:30 -- 17:30 |
+ | * Convergence problems | ||
+ | * Possible Use For Dynamic Damping | ||
+ | * Use of Level Shifts | ||
=== Meeting dinner === | === Meeting dinner === | ||
- | * 19:00 Dinner (maximum # of participants probably at this point) | + | * 18:00 NL-Mexico (campground football watching) |
+ | * 20:45 Dinner (restaurant Carlslund http:// | ||
---- | ---- | ||
==== Monday June 30 ==== | ==== Monday June 30 ==== | ||
- | === Unallocated | + | === Collaborative work/ work on tasks === |
* 9:00 -- 11:30 | * 9:00 -- 11:30 |
meeting2014.txt · Last modified: 2014/07/01 15:56 by bast