1. 27 Jan, 2017 1 commit
    • Gregor Michalicek's avatar
      Introduced wrapper for core density IO and applied it to some files · d864b81b
      Gregor Michalicek authored
      Note: There is a change in this commit that may or may not fix
      or produce a bug that might be there or not: The rhc array in the
      subroutine signature of cored was missing the spin dimension that
      it has in cdngen. This is now corrected and the array is now correctly
      filled in cored. It is unclear if this changes the behavior of the
      code at some place. It might have an effect in cdnovlp as this array
      also goes there.
      d864b81b
  2. 26 Jan, 2017 5 commits
  3. 25 Jan, 2017 1 commit
  4. 24 Jan, 2017 4 commits
  5. 23 Jan, 2017 2 commits
  6. 20 Jan, 2017 2 commits
  7. 19 Jan, 2017 3 commits
  8. 18 Jan, 2017 4 commits
  9. 17 Jan, 2017 6 commits
  10. 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      - changed the setup of the parallelization (mpi/mpimakegroups is obsolete)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
  11. 13 Jan, 2017 3 commits
  12. 05 Jan, 2017 1 commit
    • Gregor Michalicek's avatar
      Quick fix for wrong times in juDFT_times. · 70b85a1c
      Gregor Michalicek authored
      I put the resetIterationDependentTimers call to the beginning of
      each iteration. This should provide correct timings in
      juDFT_times if a single iteration is performed. Right now, the
      iteration dependent times in juDFT_times are not cumulated over
      the iterations. Only the total runtime is for all iterations.
      The other times are only for the last iteration performed.
      
      If the timings for each iteration are relevant they can be
      found in the out.xml file.
      70b85a1c
  13. 22 Dec, 2016 1 commit
  14. 21 Dec, 2016 2 commits
  15. 20 Dec, 2016 2 commits
  16. 15 Dec, 2016 2 commits