1. 27 Jun, 2017 1 commit
  2. 17 May, 2017 1 commit
  3. 03 May, 2017 1 commit
  4. 27 Apr, 2017 1 commit
  5. 26 Apr, 2017 1 commit
  6. 25 Apr, 2017 3 commits
  7. 13 Apr, 2017 1 commit
  8. 12 Apr, 2017 1 commit
  9. 11 Apr, 2017 3 commits
  10. 07 Apr, 2017 1 commit
  11. 29 Mar, 2017 1 commit
  12. 24 Mar, 2017 1 commit
  13. 23 Mar, 2017 2 commits
  14. 22 Mar, 2017 2 commits
    • Gregor Michalicek's avatar
      Introduce the possibility to delete densities from cdn.hdf · ece99695
      Gregor Michalicek authored
      The feature is used by invoking fleur with -hdf_cdn -dd a-b
      to delete all densities with index between a and b. Using
      -dd a only deletes density a.
      
      Note: The required space for the densities will not yet be given
      back to the system. The size of the file stays the same. A
      solution to this problem may be the usage of the tool h5repack.
      It should be available everywhere.
      ece99695
    • Gregor Michalicek's avatar
      Add time stamp to each density entry in cdn.hdf file · 519ddd52
      Gregor Michalicek authored
      - The time stamp is written when the wirst density entry for a given
        density index is written.
      
      - Also in this commit: write this time stamp out in if the info mode
                             is used.
      519ddd52
  15. 21 Mar, 2017 1 commit
  16. 20 Mar, 2017 1 commit
  17. 17 Mar, 2017 1 commit
  18. 16 Mar, 2017 3 commits
  19. 15 Mar, 2017 2 commits
  20. 13 Mar, 2017 1 commit
  21. 03 Mar, 2017 1 commit
  22. 02 Mar, 2017 3 commits
  23. 01 Mar, 2017 2 commits
  24. 24 Feb, 2017 1 commit
  25. 13 Feb, 2017 1 commit
  26. 10 Feb, 2017 1 commit
    • Gregor Michalicek's avatar
      Read in minDistance from inp.xml file · bfb892fa
      Gregor Michalicek authored
      Now the attribute minDistance is read in from the input file into
      the variable input%minDistance. By default this variable is 0.0 but
      it can be set to finite values in the inp.xml file. It is supposed
      to be an additional optional convergence criterion to stop calculations
      when they are converged.
      bfb892fa
  27. 27 Jan, 2017 2 commits