1. 10 Apr, 2018 1 commit
  2. 04 Apr, 2018 1 commit
  3. 03 Apr, 2018 1 commit
  4. 29 Mar, 2018 2 commits
  5. 28 Mar, 2018 4 commits
  6. 27 Mar, 2018 2 commits
  7. 26 Mar, 2018 2 commits
  8. 23 Mar, 2018 1 commit
  9. 16 Mar, 2018 1 commit
  10. 13 Mar, 2018 1 commit
  11. 07 Mar, 2018 1 commit
    • Gregor Michalicek's avatar
      Quick fix for Fe_bct test · 67243b2f
      Gregor Michalicek authored
      The test failed because the unrotated input density was not kept for the mixer.
      I solved it by introducing an inDenRot variable that is a copy of inDen and then
      gets rotated in rhodirgen if that soubroutine is in the program flow. It is only
      used as an input to those subroutines that require the rotated input density or
      are insensitive to it.
      67243b2f
  12. 06 Mar, 2018 1 commit
  13. 02 Mar, 2018 1 commit
  14. 01 Mar, 2018 1 commit
  15. 27 Feb, 2018 1 commit
  16. 29 Nov, 2017 1 commit
  17. 23 Nov, 2017 1 commit
  18. 13 Nov, 2017 1 commit
  19. 08 Nov, 2017 3 commits
  20. 06 Nov, 2017 1 commit
    • Gregor Michalicek's avatar
      Use density matrix stored in cdn.hdf file · 075d7301
      Gregor Michalicek authored
      Note: Also in this commit:
      
      1. Changed test values in NiO_ldauXML test since now the broyden files get deleted
         when a new density matrix is generated
      2. The NiO_ldau test should not work any more since linear mixing for the density
         matrix is removed for the old inp file. (It is not specified in the n_mmp_mat
         file any more)
      075d7301
  21. 27 Oct, 2017 1 commit
    • Gregor Michalicek's avatar
      Some cleanup in preparation of introducing potden to cdnpot_io_hdf · ca7d27ac
      Gregor Michalicek authored
      Note: Two changes have been done in global/types.F90:
      
         1. MERGE(jsp,4,l_noco) -> MERGE(4,jsp,l_noco)
            (I think the new code is correcter. This change is required)
      
         2. Some dimension variable was replaced by stars%ng2.
            (Maybe this is not required and maybe the previous variable was more correct.)
      ca7d27ac
  22. 26 Oct, 2017 2 commits
  23. 23 Oct, 2017 1 commit
  24. 20 Oct, 2017 4 commits
  25. 19 Oct, 2017 3 commits
  26. 18 Oct, 2017 1 commit