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  1. 01 Mar, 2019 4 commits
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  47. 08 Nov, 2017 3 commits
  49. 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
  51. 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
  53. 26 Oct, 2017 2 commits