1. 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
  2. 21 Mar, 2017 1 commit
  3. 20 Mar, 2017 2 commits
  4. 17 Mar, 2017 1 commit
  5. 16 Mar, 2017 3 commits
  6. 15 Mar, 2017 2 commits
  7. 13 Mar, 2017 1 commit
  8. 03 Mar, 2017 3 commits
  9. 02 Mar, 2017 3 commits
  10. 01 Mar, 2017 2 commits
  11. 24 Feb, 2017 2 commits
  12. 22 Feb, 2017 1 commit
  13. 21 Feb, 2017 1 commit
  14. 14 Feb, 2017 1 commit
  15. 13 Feb, 2017 2 commits
  16. 10 Feb, 2017 2 commits
    • 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
    • Daniel Wortmann's avatar
      Bugfix · bdee137d
      Daniel Wortmann authored
      bdee137d
  17. 09 Feb, 2017 2 commits
  18. 27 Jan, 2017 2 commits
  19. 26 Jan, 2017 1 commit
  20. 24 Jan, 2017 1 commit
  21. 23 Jan, 2017 2 commits
  22. 20 Jan, 2017 2 commits
  23. 19 Jan, 2017 1 commit