1. 01 May, 2017 1 commit
  2. 25 Apr, 2017 1 commit
  3. 06 Apr, 2017 1 commit
  4. 21 Mar, 2017 1 commit
  5. 16 Mar, 2017 1 commit
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  7. 01 Mar, 2017 3 commits
  8. 22 Feb, 2017 1 commit
  9. 21 Feb, 2017 1 commit
  10. 13 Feb, 2017 2 commits
  11. 09 Feb, 2017 2 commits
  12. 24 Jan, 2017 2 commits
  13. 17 Jan, 2017 1 commit
  14. 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      - changed the setup of the parallelization (mpi/mpimakegroups is obsolete)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
  15. 09 Nov, 2016 1 commit
  16. 20 Oct, 2016 1 commit
  17. 13 Oct, 2016 1 commit
  18. 12 Oct, 2016 2 commits
  19. 11 Oct, 2016 1 commit
  20. 07 Oct, 2016 1 commit
  21. 26 Sep, 2016 1 commit
  22. 26 Aug, 2016 1 commit
  23. 19 Aug, 2016 1 commit
    • Gregor Michalicek's avatar
      Fixed array index bug in eigen/tlmplm_store.F90 · 9d7dd9cf
      Gregor Michalicek authored
      With strict debugging options I got the error that index 3
      of the array tuulo had a value larger than the upper bound. The
      array indizes were not explicitely provided at that point and
      that surely was wrong. I fixed that. The error is gone. However,
      I don't understand how the actual error was caused by this.
      
      Maybe there is still something else.
      9d7dd9cf
  24. 11 Aug, 2016 1 commit
    • Gregor Michalicek's avatar
      Bugfix: Replaced atoms%nat in tlo.f90 by an index for the atom. · 354dac11
      Gregor Michalicek authored
      In the old FLEUR version the index denoting the atom in that routine
      was "nat". Somehow this was replaced by "atoms%nat" when types were
      introduced. This has a different meaning. I therefore introduced
      the index "na " to refer to the actual atom and replaced atoms%nat
      by this.
      354dac11
  25. 10 Aug, 2016 1 commit
    • Gregor Michalicek's avatar
      Probably corrected a bug in hlomat call. · 4f84d0a8
      Gregor Michalicek authored
      I compared the calls to hlomat to those of an old
      reference fleur version and realized that depending on the
      call some array indices were different. I corrected them such
      that they correspond to the old version. None of the test
      cases seems to be affected by this so maybe a test case should
      be written that is sensitive to these calls.
      
      To me the discrepancies to the old reference fleur version
      looked like a copy&paste error when the calls were rewritten
      with the new types. Therefore I corrected it.
      4f84d0a8
  26. 15 Jul, 2016 1 commit
  27. 07 Jul, 2016 1 commit
  28. 06 Jul, 2016 1 commit
  29. 01 Jul, 2016 1 commit
  30. 30 Jun, 2016 1 commit
  31. 29 Jun, 2016 3 commits
  32. 28 Jun, 2016 1 commit
    • Gregor Michalicek's avatar
      Added FleurOutputSchema.xsd to io/xml/ · 555eeb2e
      Gregor Michalicek authored
      Note: The planned usage of XML Schema any elements is not possible
      as it makes 'the content model nondeterministic'. Therefore this
      schema is stricter than planned. It is also incomplete at the
      moment, e.g., orbital magnetic moments and forces are not yet
      covered.
      
      Also in this commit some smaller layout changed in out.xml.
      555eeb2e