1. 24 Apr, 2018 1 commit
  2. 23 Apr, 2018 1 commit
  3. 04 Apr, 2018 1 commit
  4. 03 Apr, 2018 1 commit
  5. 29 Mar, 2018 2 commits
  6. 28 Mar, 2018 2 commits
  7. 16 Jan, 2018 1 commit
  8. 12 Dec, 2017 1 commit
  9. 11 Dec, 2017 1 commit
  10. 24 Nov, 2017 1 commit
  11. 06 Nov, 2017 1 commit
    • Gregor Michalicek's avatar
      Revert changes in NiO_ldauXML test and bugfix in io/r_inpXML.F90 · 68ac0196
      Gregor Michalicek authored
      The fixed bug was the ignoring of the ldaU XML element if the version number
      of the inp.xml file was not 0.29. For the NiO_ldauXML test this meant that
      no linear mixing was used for the density matrix.
      
      Please note that there are still slight differences between the results
      obtained with this version and the last release version. I changed the
      reference value for the total energy from -3191.9717 to -3191.9707.
      68ac0196
  12. 23 Oct, 2017 1 commit
  13. 17 Oct, 2017 1 commit
  14. 22 Sep, 2017 2 commits
  15. 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
  16. 11 Aug, 2017 1 commit
  17. 04 Aug, 2017 1 commit
  18. 25 Jul, 2017 2 commits
  19. 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
  20. 27 Jun, 2017 1 commit
  21. 18 May, 2017 2 commits
  22. 03 May, 2017 1 commit
  23. 26 Apr, 2017 1 commit
    • Gregor Michalicek's avatar
      Introduced "-old" mode in inpgen · 28d607fd
      Gregor Michalicek authored
      With -old mode only the old inp file is generated.
      Without -old mode only the new inp.xml file is generated.
      
      Also added some checks and errors if there already is an input file present.
      28d607fd
  24. 13 Feb, 2017 1 commit
  25. 19 Jan, 2017 1 commit
  26. 17 Jan, 2017 3 commits
  27. 06 Oct, 2016 1 commit
  28. 30 Sep, 2016 1 commit
  29. 30 Aug, 2016 1 commit
  30. 17 Aug, 2016 1 commit
  31. 28 Jul, 2016 1 commit
  32. 27 Jul, 2016 1 commit
  33. 30 Jun, 2016 1 commit