1. 30 Aug, 2016 3 commits
  2. 29 Aug, 2016 1 commit
  3. 17 Aug, 2016 1 commit
  4. 03 Aug, 2016 1 commit
  5. 02 Aug, 2016 1 commit
    • Gregor Michalicek's avatar
      Added PTOXML test. Works. · 32604ab2
      Gregor Michalicek authored
      Worked only after explicitly initializing the irrelevant
      parts of the el0 array in r_inpXML. Otherwise a "floating invalid"
      error showed up in enpara, line 217.
      32604ab2
  6. 01 Aug, 2016 1 commit
  7. 28 Jul, 2016 1 commit
  8. 27 Jul, 2016 1 commit
  9. 26 Jul, 2016 1 commit
  10. 22 Jul, 2016 3 commits
  11. 20 Jul, 2016 1 commit
  12. 19 Jul, 2016 2 commits
  13. 15 Jul, 2016 1 commit
  14. 14 Jul, 2016 1 commit
  15. 12 Jul, 2016 1 commit
  16. 08 Jul, 2016 5 commits
  17. 07 Jul, 2016 2 commits
  18. 06 Jul, 2016 2 commits
  19. 01 Jul, 2016 1 commit
  20. 30 Jun, 2016 1 commit
  21. 29 Jun, 2016 2 commits
  22. 28 Jun, 2016 1 commit
    • Gregor Michalicek's avatar
      Added FleurOutputSchema.xsd to io/xml/ · 555eeb2e
      Gregor Michalicek authored
      Note: The planned usage of XML Schema any elements is not possible
      as it makes 'the content model nondeterministic'. Therefore this
      schema is stricter than planned. It is also incomplete at the
      moment, e.g., orbital magnetic moments and forces are not yet
      covered.
      
      Also in this commit some smaller layout changed in out.xml.
      555eeb2e
  23. 27 Jun, 2016 3 commits
  24. 24 Jun, 2016 2 commits
  25. 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