1. 25 Nov, 2016 1 commit
  2. 26 Sep, 2016 1 commit
  3. 22 Sep, 2016 1 commit
  4. 04 Jul, 2016 1 commit
  5. 29 Jun, 2016 1 commit
  6. 23 Jun, 2016 1 commit
    • Gregor Michalicek's avatar
      Read in evac0 from inp.xml file · 2893221a
      Gregor Michalicek authored
      Also in this commit: Set the default vacuum energy parameter
      to -0.25 Htr. It was -0.1 Htr at some places. The default value
      is now stored in constants.f.
      2893221a
  7. 19 May, 2016 1 commit
  8. 17 May, 2016 1 commit
    • Gregor Michalicek's avatar
      Quick fix for missing vacuum energy parameters without enpara file · 50b86f47
      Gregor Michalicek authored
      At the moment film calculations cannot be performed without an explicit
      enpara file. We want to overcome this by introducing reasonable default
      vacuum energy parameters. However, in this quick fix the problem is simply
      solved by generating an explicit enpara file whenever film calculations
      are performed.
      50b86f47
  9. 12 May, 2016 1 commit
  10. 29 Apr, 2016 1 commit
  11. 28 Apr, 2016 1 commit
  12. 27 Apr, 2016 1 commit
    • Gregor Michalicek's avatar
      Some preparations for the coming xml input file + bugfix for wrong... · a72e844e
      Gregor Michalicek authored
      Some preparations for the coming xml input file + bugfix for wrong determination of number of core states
      
      This commit fixes a bug that lead to a wrong number of core states in the inp file. Since this
      bugfix was already available in another fleur version that includes the coming xml input. Some
      preparations for this input are also introduced at this point.
      a72e844e
  13. 26 Apr, 2016 1 commit