1. 07 Jun, 2018 1 commit
  2. 04 Jun, 2018 1 commit
    • Miriam Hinzen's avatar
      Introduce Logical Variable yukawa_residual · 5c698212
      Miriam Hinzen authored
      At the moment this variable is without function. Later it will be used as a switch between the Yukawa and Coulomb cases in the potential generation.
      Since the preconditioning parameter is now stored in the input file and since both the Coulomb and Yukawa potentials are generated in a calculation with preconditioner, the switch cannot simply be based on the value of the preconditioning parameter. This is quite ugly and we might want to change this somehow later.
      5c698212
  3. 24 Apr, 2018 1 commit
  4. 23 Apr, 2018 2 commits
  5. 20 Apr, 2018 3 commits
  6. 16 Apr, 2018 1 commit
  7. 27 Mar, 2018 2 commits
  8. 26 Mar, 2018 1 commit
  9. 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
  10. 16 Mar, 2018 2 commits
  11. 13 Mar, 2018 1 commit
  12. 02 Mar, 2018 1 commit
  13. 27 Nov, 2017 1 commit
  14. 08 Nov, 2017 2 commits
  15. 02 Nov, 2017 2 commits
  16. 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
  17. 26 Oct, 2017 1 commit
  18. 20 Oct, 2017 2 commits
  19. 19 Oct, 2017 4 commits
  20. 05 Oct, 2017 1 commit
  21. 04 Oct, 2017 1 commit
  22. 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
  23. 14 Sep, 2017 1 commit
  24. 13 Sep, 2017 1 commit
  25. 11 Sep, 2017 1 commit
  26. 04 Aug, 2017 1 commit
  27. 28 Jul, 2017 1 commit
    • Gregor Michalicek's avatar
      Added broadcast of rho in vgen · ab05f0db
      Gregor Michalicek authored
      At the moment this does not seem to be important as the final result
      of vgen seems to be originating from irank 0 only. However, valgrind
      complained that some jump in vgen->vmts->ingr (line 191) is undefined
      because an initialization is missing for all iranks != 0.
      ab05f0db
  28. 20 Jul, 2017 1 commit