1. 24 Aug, 2017 1 commit
  2. 14 Aug, 2017 1 commit
  3. 11 Aug, 2017 2 commits
  4. 26 Jul, 2017 1 commit
  5. 25 Jul, 2017 2 commits
  6. 12 Jul, 2017 1 commit
  7. 19 Jun, 2017 1 commit
  8. 03 Mar, 2017 1 commit
  9. 02 Mar, 2017 1 commit
  10. 13 Feb, 2017 2 commits
  11. 10 Feb, 2017 2 commits
  12. 09 Feb, 2017 3 commits
  13. 18 Jan, 2017 1 commit
  14. 17 Jan, 2017 2 commits
  15. 16 Jan, 2017 1 commit
    • Daniel Wortmann's avatar
      Several changes: · 894fb095
      Daniel Wortmann authored
      - made l_zref a local variable no longer in type sym
      - changed the setup of the parallelization (mpi/mpimakegroups is obsolete)
      - added new command line switches yet to be documented :-)
      894fb095
  16. 11 Oct, 2016 1 commit
  17. 26 Sep, 2016 1 commit
  18. 13 Sep, 2016 1 commit
  19. 28 Jul, 2016 1 commit
  20. 26 Jul, 2016 1 commit
  21. 20 Jul, 2016 1 commit
  22. 24 Jun, 2016 1 commit
  23. 21 Jun, 2016 2 commits
  24. 19 May, 2016 1 commit
  25. 13 May, 2016 1 commit
    • Gregor Michalicek's avatar
      Initial introduction of the loading of inp.xml by fleur · ad4ad915
      Gregor Michalicek authored
      For very simple test systems fleur can now use the inp.xml file
      as an input. Note, however, that the functionality is still
      very incomplete. Therefore, preliminary fleur has to be invoked
      with -xmlInput to make use of inp.xml.
      
      Besides the feature incompleteness it is expected that there are
      still some bugs in loading inp.xml. So far it is
      only tested for Si and Fe. For Fe a small deviation from the
      reference total energy is observed (0.03 mHtr), the magnetic
      moments are off by 0.003. The cause is yet unknown.
      ad4ad915
  26. 29 Apr, 2016 1 commit
  27. 28 Apr, 2016 1 commit
    • Gregor Michalicek's avatar
      Initial commit of xml input file generator. · 12c8019f
      Gregor Michalicek authored
      Besides the conventional input, the new inpgen now also generates an
      inp.xml file containing all required data to start a calculation. The
      commit also includes additional command line parameters for inpgen:
      
         "-explicit": This writes k-points, symmetry operations, and the Bravais
                      matrix explicitly into the inp.xml file.
         "-noXML":    This switches of the generation of the inp.xml file.
      12c8019f
  28. 27 Apr, 2016 2 commits
  29. 26 Apr, 2016 1 commit