Differences

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--- meeting2026 [2026/05/04 07:32] – [Tuesday May 5] visscher
+++ meeting2026 [2026/05/06 08:10] (current) – [Thursday May 7] visscher
@@ Line 113: / Line 113: @@
 ----
-===  Discussions - Focus on ExaCorr ===
+===  Discussions & Collaborative Work ===
-   * 13:00 -- 13.30 State of affairs wrt transition to TAPP[[https://github.com/TAPPorg/tensor-interfaces]]
+   * 13:00 -- 17.30 Work on issues and user documentation
-   * 13:30 -- 14:30
-   * 14:30 -- 15.15 Restart scheme for ExaCorr (where we are, where we're going)
-   * 15:15 -- 15:45 Development planning (who does what)
- ===  Workgroup Session ===
-   * 15.45 -- 17.30
 ==== Tuesday May 5 ====
@@ Line 129: / Line 123: @@
   * 09:30 -- 10:00
   * 10:00 -- 11:00 Coffee break and group picture
-  * 11:00 -- 11:30
+  * 11:00 -- 12:00 -- no program as Andre & Jan need to attend hackathon --
-  * 11:30 -- 12:00
   *
 === Lunch  ===
@@ Line 138: / Line 131: @@
 ===  Discussion - Focus on AI  ===
    * 13:30 -- 14:00 AI coding agents applied to DIRAC: Lucas Visscher
-   * 14:00 -- 14:30
+   * 14:00 -- 14:30 Modules and utility routines (Trond)
    * 14:30 -- 15:00
@@ Line 148: / Line 141: @@
 === Board game night  ===
-  * 19:30 [[https://maps.app.goo.gl/sQht3pGUGkp8b9QP9|Papas Papbar]] (we can grab some food in the city center before)
+  * 20:00 [[https://maps.app.goo.gl/sQht3pGUGkp8b9QP9|Papas Papbar]] (we can grab some food in the city center before)
 ==== Wednesday May 6 ====
 === Science with DIRAC ===
-  * 09:00 -- 09:30
+  * 09:00 -- 09:30 Use of Cholesky transformation in Dirac (Andre, Luuk)
-  * 09:30 -- 10:00
+  * 09:30 -- 10:00 Using basis sets for correlation - things to do and things to avoid. (Ken Dyall, online)
   * 10:00 -- 10:30 Coffee break
   * 10:30 -- 11:00 Intrinsic and applied momentum cutoff in Gaussian basis (Trond)
@@ Line 163: / Line 156: @@
   * 12:10 -- 13:30
-=== Technical issues (discussion sessions) ===
+===  Discussions - Focus on ExaCorr ===
+   * 13:00 -- 13.30 State of affairs wrt transition to TAPP[[https://github.com/TAPPorg/tensor-interfaces]]
-  * 13:30 -- 14:00
+   * 13:30 -- 14:30 Restart scheme for ExaCorr (where we are, where we're going)
-  * 14:00 -- 14:30
+   * 14:30 -- 15.15 Development planning (who does what)
-  * 14:30 -- 15:00
 === Collaborative work ===
-  * 15:00 -- 17:30
+  * 15:15 -- 17:30 (Luuk has zoom 16:30-17:00)
 === Meeting dinner ===
@@ Line 181: / Line 173: @@
 === Science with DIRAC ===
-  * 09:00 -- 09:30
+  * 09:00 -- 09:30 On-top pair density (Erik)
-  * 09:30 -- 10:00
+  * 09:30 -- 10:00 Post-SCF virtual manipulation (Luuk, Ken, Trond: discussion)
   * 10:00 -- 10:30 Coffee break
   * 10:30 -- 11:00
@@ Line 192: / Line 184: @@
   * 12:10 -- 13:30
-=== Technical issues (discussion sessions) ===
+=== Discussion of notebooks ===
   * 13:30 -- 14:00
-  * 14:00 -- 14:30
+  * 14:00 -- 15:00 Notebook for orbital visualization (Fernando, Gosia, Luuk)
-  * 14:30 -- 15:00
 === Collaborative work ===
@@ Line 211: / Line 202: @@
   * 11:00 -- 11:30
   * 11:00 -- 12:00 Collaborative work (or more talks)
+==== Meeting notes ====
+=== Node leaders: ===
+André:
+  * magnetic properties (cc)
+Erik:
+  * Merging CAS methods with DFT (Pair-density functional theory)
+  * New postdoc position on this topic
+Martin:
+  * Combining relativity with non-adiabatic dynamics
+  * Variational methods in dynamics
+  * DIRAC: MCSCF without symmetry
+Trond:
+  * ERC project
+  * tensor libraries (Jan Brandejs)
+  * QED in Gaussian basis set (only one set needed for various kappa values)
+  * Ozaki scheme
+Luuk:
+  * CC-related projects
+  * Export slater-based integrals from ADF to use in TenPy (Jan)
+  * RPA-like methods, GW vertex corrections and downfolding methods (Arno)
+  * Quantum eigensolver
+  * VCD
+  * machinge learning
+  * molecules in strong magnetic fields (Ansgar)
+  * collaboration with Xiaosong Li
+  * Rose
+  * collaboration with Kenn Dyall
+Hans-Jørgen:
+  * g-tensor/hyperfine tensor triplet and quartet systems
+  * RelQC in quantum computing
+  * code maintenance DIRAC
+=== Task List ===
+  * Cmake revision PE module, Tensor Libraries setup (Erik, Luuk, Andre, Hans-Jørgen)
+  * C1-MCSCF (Martin, HJJ, Trond)
+  * hdf5 Fortran wrapper (Erik, Luuk, Andre, Hans-Jørgen)
+  * ROSE as subtree (Luuk, HJJ)
+  * Visualization in a notebook (Fernando, Erik, Luuk, Gosia)