1. 23 Apr, 2018 1 commit
  2. 03 Apr, 2018 1 commit
  3. 29 Mar, 2018 1 commit
  4. 28 Mar, 2018 2 commits
  5. 24 Nov, 2017 1 commit
  6. 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
  7. 11 Sep, 2017 1 commit
  8. 04 Aug, 2017 1 commit
  9. 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
  10. 12 Jul, 2017 1 commit
  11. 11 Jul, 2017 1 commit
  12. 04 Jul, 2017 2 commits
  13. 27 Jun, 2017 1 commit
  14. 21 Jun, 2017 1 commit
  15. 09 Jun, 2017 1 commit
  16. 31 May, 2017 1 commit
    • Gregor Michalicek's avatar
      Fix ptsym error occuring for weird setups and old inp file · b29538e7
      Gregor Michalicek authored
      Some setups require the search for a common position factor for the
      first two atom coordinates, otherwise symmetry may not be fulfilled
      For certain atom groups. I fixed this for the old inp file by
      adapting old code (probably from Christoph) to the new fleur.
      
      However, I suggest using the inp.xml input file. Here the position
      factor scheme is more flexible as an own factor is determined for each
      coordinate.
      b29538e7
  17. 27 Apr, 2017 1 commit
  18. 18 Jan, 2017 1 commit
  19. 17 Jan, 2017 2 commits
  20. 01 Jul, 2016 1 commit
  21. 27 Jun, 2016 1 commit
  22. 21 Jun, 2016 1 commit
  23. 26 Apr, 2016 2 commits