1. 27 Feb, 2018 1 commit
  2. 26 Feb, 2018 1 commit
  3. 15 Jan, 2018 1 commit
    • Gregor Michalicek's avatar
      Make CI work again · 9ce3d954
      Gregor Michalicek authored
      The problem was due to several variables not being declared as private in
      an OpenMP loop. The bug was introduced in commit b065f991.
      Sorry for that! ;)
      9ce3d954
  4. 11 Jan, 2018 1 commit
  5. 13 Dec, 2017 2 commits
  6. 30 Nov, 2017 1 commit
    • Gustav Bihlmayer's avatar
      Update mapatom.F90, hsmt_extra.F90 and vec_for_lo.f90 to ensure a complex matrix setup · 5bf8da4d
      Gustav Bihlmayer authored
      with invsatom=0 etc. in case of LDA+U and SOC. Furthermore the i_u counter was reset
      for more that one atom per type in hsmt_extra.F90. l_lo1 and some fix spin-spiral + LO
      in pathological cases introduces in vec_for_lo.f90. The "scalar relativistic" energy
      parameter calculation for LO's was introduced in lodpot.f90. This will change the
      total energy in some test cases.
      5bf8da4d
  7. 29 Nov, 2017 1 commit
  8. 20 Oct, 2017 1 commit
  9. 19 Oct, 2017 2 commits
  10. 05 Oct, 2017 3 commits
  11. 29 Sep, 2017 2 commits
  12. 26 Sep, 2017 1 commit
  13. 15 Sep, 2017 1 commit
  14. 14 Sep, 2017 3 commits
  15. 12 Sep, 2017 1 commit
  16. 31 Aug, 2017 1 commit
  17. 04 Aug, 2017 1 commit
  18. 30 Jul, 2017 1 commit
  19. 27 Jul, 2017 1 commit
  20. 21 Jul, 2017 1 commit
  21. 20 Jul, 2017 1 commit
  22. 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
  23. 14 Jul, 2017 1 commit
  24. 12 Jul, 2017 1 commit
  25. 11 Jul, 2017 2 commits
  26. 03 Jul, 2017 2 commits
  27. 01 Jul, 2017 1 commit
  28. 27 Jun, 2017 2 commits
  29. 26 Jun, 2017 1 commit
  30. 21 Jun, 2017 1 commit