1. 14 Nov, 2018 1 commit
    • Gregor Michalicek's avatar
      Fix vx in vgen/vgen_xcpot.F90 · ef8fa644
      Gregor Michalicek authored
      Outside of vgen/vgen_xcpot.F90 this potential contribution is used such
      that it is assumed that every entry of the interstitial part is divided
      by the number of G vectors contributing to the respective stars.
      
      This fixes an issue in the hybrid functionals calculation. Also for
      GW it is needed in this form.
      ef8fa644
  2. 07 Sep, 2018 1 commit
  3. 25 Jun, 2018 1 commit
  4. 20 Jun, 2018 1 commit
  5. 15 Jun, 2018 1 commit
  6. 08 May, 2018 1 commit
  7. 04 May, 2018 1 commit
  8. 03 May, 2018 1 commit
  9. 02 May, 2018 1 commit
  10. 24 Apr, 2018 1 commit
  11. 23 Apr, 2018 2 commits
  12. 20 Apr, 2018 3 commits
  13. 16 Apr, 2018 1 commit
  14. 27 Mar, 2018 2 commits
  15. 26 Mar, 2018 1 commit
  16. 23 Mar, 2018 2 commits
    • Gregor Michalicek's avatar
      Fix commit e4779da8 · cb422c90
      Gregor Michalicek authored
      ...for non-spinpolarized systems.
      cb422c90
    • Gregor Michalicek's avatar
      Quick fix for MPI trouble in MPI:Fe_bct test · e4779da8
      Gregor Michalicek authored
      The problem was that the 2nd dimension of vCoul%pw was set to 2 by the assignment
      modified in this commit. This lead to an MPI broadcasting problem as it was only
      done for rank 0. At some point one should check whether we actually need more
      than the 2 spin dimensions for this potential contribution.
      e4779da8
  17. 16 Mar, 2018 2 commits
  18. 13 Mar, 2018 1 commit
  19. 02 Mar, 2018 1 commit
  20. 27 Nov, 2017 1 commit
  21. 08 Nov, 2017 2 commits
  22. 02 Nov, 2017 2 commits
  23. 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
  24. 26 Oct, 2017 1 commit
  25. 20 Oct, 2017 2 commits
  26. 19 Oct, 2017 4 commits
  27. 05 Oct, 2017 1 commit
  28. 04 Oct, 2017 1 commit