meeting2014
Differences
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| meeting2014 [2014/06/28 14:28] – bast | meeting2014 [2014/07/01 15:56] (current) – bast | ||
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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 | ||
| Line 79: | Line 79: | ||
| * Trond, Radovan | * Trond, Radovan | ||
| - | * Integrate branch with Tamm-Dancoff approximation for excitation energies | + | * <del>Integrate branch with Tamm-Dancoff approximation for excitation energies</ |
| * Radovan | * Radovan | ||
| Line 85: | Line 85: | ||
| * Merge branch radovan/ | * Merge branch radovan/ | ||
| * Adapt python scripts to Python 3. | * Adapt python scripts to Python 3. | ||
| - | * Upgrade the dokuwiki site to latest release (Ponder Stibbons). | + | * <del>Upgrade the dokuwiki site to latest release (Ponder Stibbons).</ |
| * Clean up and upgrade timing printout. Only use cpu_time and mpi_wtime. | * Clean up and upgrade timing printout. Only use cpu_time and mpi_wtime. | ||
| Line 120: | Line 120: | ||
| * 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 === | ||
| Line 150: | Line 138: | ||
| * 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) | ||
| * 11:00 -- 11:30 A unit testing framework (Stano) | * 11:00 -- 11:30 A unit testing framework (Stano) | ||
| - | |||
| - | === Unallocated === | ||
| - | |||
| - | * 11:30 -- 12:00 | ||
| === 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) | ||
| - | === Convergence === | + | === Science with DIRAC === |
| - | + | ||
| - | * 14:00 -- 15:30 | + | |
| - | * Convergence problems | + | |
| - | * Possible Use For Dynamic Damping | + | |
| - | * Use of Level Shifts | + | |
| - | + | ||
| - | === Unallocated | + | |
| - | * 15:30 -- 17:30 | + | * 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 | ||
| === 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 | + | === Convergence |
| + | |||
| + | * 09:00 -- 10:30 | ||
| + | * Convergence problems | ||
| + | * Possible Use For Dynamic Damping | ||
| + | * Use of Level Shifts | ||
| + | |||
| + | * 11:15 -- 11:30 Lucas Visscher: Prospects for using massively parallel architectures | ||
| - | * 9:00 -- 11:30 | ||
| === New Functionalities for DIRAC === | === New Functionalities for DIRAC === | ||
| Line 195: | Line 181: | ||
| === Testing === | === Testing === | ||
| - | * 13:00 -- 13:30 Code quality assurance for busy scientists | + | * 13:00 -- 13:05 A look at the current test coverage |
| - | * 13:30 -- 18:00 | + | * 13:05 -- 18:00 |
| * Tickets | * Tickets | ||
| * Restore broken tests | * Restore broken tests | ||
| Line 202: | Line 188: | ||
| * Speed up or split up long tests (20 minutes long standard tests are too much) | * Speed up or split up long tests (20 minutes long standard tests are too much) | ||
| * Increase code coverage | * Increase code coverage | ||
| + | * Stano implements one example of unit test in DIRAC | ||
| ---- | ---- | ||
meeting2014.1403958526.txt.gz · Last modified: 2014/06/30 10:52 (external edit)