Meeting 2019

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Octopus developers workshop - 11-12 June 2019

The fourth Octopus developers workshop will take place at the Max Planck Institute for the Dynamics and Structure of Matter, in Hamburg, Germany from the 11 to the 12 of June 2019.

List of participants

  1. Angel Rubio
  2. Micael Oliveira
  3. Martin Lueders
  4. Nicolas Tancogne-Dejean
  5. Florian Eich (Tuesday 100%, Wednesday 50%)
  6. Alberto Castro
  7. Sebastian Ohlmann
  8. Heiko Appel
  9. Shunsuke Sato
  10. Florian Buchholz
  11. Xavier Andrade
  12. Carlo Andrea Rozzi
  13. Umberto De Giovannini
  14. Hannes Huebener
  15. Enrico Ronca
  16. Lukas Windgaetter
  17. Dong bin Shin
  18. Christian Schaefer
  19. Franco Bonafé
  20. Iris Theophilou
  21. Henning Glawe


Tuesday Wednesday
Morning 09:00 Welcome (Heiko)

09:10 Micael

10:30 Coffee break

11:00 Davis

11:20 Franco

11:40 Heiko

12:00 Lunch

09:00 Sebastian

09:30 Xavier

09:50 Nicolas

10:10 Alberto

10:30 Coffee break

11:00 Carlo

11:20 Discussions

12:00 Lunch

Afternoon 13:30 Xavier

13:50 Florian E.

14:10 Umberto/Hannes

14:40 Nicolas

15:10 Florian B.

15:30 Discussions

16:00 Coffee break

16:30 Discussions

13:30 Discussions

15:30 Coffee break

16:00 Departure

Evening Workshop dinner


  1. State of the UnionOctopus (Micael)
  2. Non-linear transport from real-time TDDFT (Xavier)
  3. Magnons from real-space real-time TDDFT (Florian Eich)
  4. TBA (Davis)
  5. Twisted light and local field enhancement (Franco)
  6. Time-dependent density-functional theory for QED: coupled Ehrenfest-Maxwell-Pauli-Kohn-Sham equations (Heiko Appel)
  7. Floquet analysis with Octopus (Umberto/Hannes)
  8. Hybrid functionals and real-time TDDFT in Octopus (Nicolas Tancogne-Dejean)
  9. Conjugate Gradients Algorithm for RDMFT (Florian Buchholz)
  10. Improving ground-state calculations, analyzing testsuite results (Sebastian Ohlmann)
  11. Octopus and GPUs (Xavier)
  12. Working with solids in Octopus: The Delta factor strikes back (Nicolas Tancogne-Dejean)
  13. New utilities in Octopus (Nicolas Tancogne-Dejean)
  14. TBA (Alberto)
  15. From static PCM to real-time PCM in octopus (Carlo)


These are topics we should discuss during the meeting.

  1. Next Octopus developers workshop
  2. Scheduling a monthly meeting
  3. Upcoming Octopus paper
  4. Compiler warnings in buildbot tests.
  5. Deprecation of forall in the Fortran standard.
  6. Proposal to make components of derived data types private by default.
  7. Proposal to reduce the default values for the ConvRelDens and EigensolverTol input options.
  8. Introduction of Fortran 2003/2008 OOP features.
  9. Permissions on gitlab group and associated projects.
  10. New release manager.
  11. Proposal to make reviews of merge requests mandatory
  12. Modular parts interchangeable with other codes

Practical information

The meeting will be at the MPSD in Seminar Room SR I. You can find information how to reach it here.