1. 11 Jun, 2018 1 commit
  2. 08 Jun, 2018 1 commit
  3. 07 Jun, 2018 1 commit
  4. 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
  5. 28 Mar, 2018 2 commits
  6. 27 Mar, 2018 1 commit
  7. 16 Mar, 2018 1 commit
  8. 26 Jan, 2018 1 commit
  9. 16 Jan, 2018 1 commit
  10. 12 Jan, 2018 1 commit
  11. 11 Jan, 2018 1 commit
  12. 13 Nov, 2017 1 commit
  13. 10 Nov, 2017 2 commits
  14. 08 Nov, 2017 4 commits
  15. 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
  16. 02 Nov, 2017 1 commit
  17. 26 Oct, 2017 2 commits
  18. 23 Oct, 2017 2 commits
  19. 20 Oct, 2017 3 commits
  20. 18 Oct, 2017 3 commits
  21. 16 Oct, 2017 2 commits
  22. 06 Oct, 2017 2 commits
  23. 18 Sep, 2017 1 commit
    • Daniel Wortmann's avatar
      Refactoring of xcpot data type: · df91b524
      Daniel Wortmann authored
      -removing of variable icorr, use of member-functions instead
      -removal of icorrkeys module
      -removal of hybridmix module
      -cleanup at several places
      df91b524
  24. 06 Sep, 2017 1 commit
  25. 18 Jul, 2017 1 commit
    • Daniel Wortmann's avatar
      Reordered the hybrid code. · dd1053a5
      Daniel Wortmann authored
      Now fleur.F90 calls a subroutine that does most of the hybrid stuff.
      In eigen.F90 only the non-local potential is added to the Hamiltonian
      dd1053a5
  26. 11 Jul, 2017 1 commit
  27. 03 Jul, 2017 1 commit