1. 23 Jan, 2019 1 commit
  2. 07 Dec, 2018 1 commit
  3. 17 Oct, 2018 1 commit
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  10. 07 Jun, 2018 1 commit
  11. 06 Jun, 2018 1 commit
    • Miriam Hinzen's avatar
      Modify types_potden, vgen and mix (part 1) · 5a4e3145
      Miriam Hinzen authored
      in potden: introduce subroutines SpinsToChargeAndMagnetisation and ChargeAndMagnetisationToSpins
      Writing preconditioned quantities to files is now substituted by passing types. This changes a lot.
      5a4e3145
  12. 28 Mar, 2018 2 commits
  13. 27 Mar, 2018 1 commit
  14. 16 Mar, 2018 1 commit
  15. 26 Jan, 2018 1 commit
  16. 16 Jan, 2018 1 commit
  17. 12 Jan, 2018 1 commit
  18. 11 Jan, 2018 1 commit
  19. 13 Nov, 2017 1 commit
  20. 10 Nov, 2017 2 commits
  21. 08 Nov, 2017 4 commits
  22. 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
  23. 02 Nov, 2017 1 commit
  24. 26 Oct, 2017 2 commits
  25. 23 Oct, 2017 2 commits
  26. 20 Oct, 2017 3 commits
  27. 18 Oct, 2017 3 commits
  28. 16 Oct, 2017 2 commits