1. 30 Aug, 2016 2 commits
    • Daniel Wortmann's avatar
      Added code to include the compile time/user/host and the · 6a73f16b
      Daniel Wortmann authored
      git version to the executable. This is done by cmake generating a file
      init/compileinfo.h with the required data. This file is included in init/compile_descr.F90 and
      ignored by git.
      6a73f16b
    • Gregor Michalicek's avatar
      Reduce the number of digits written to inp.xml to 10 · 8c5e10ba
      Gregor Michalicek authored
      For some numbers more than 10 digits were written out to inp.xml.
      But it turned out that starting with the 11th digit numerical
      noise becomes relevant so that the numbers became strange. It is
      surprising that we already have numerical noise in the 11th digit.
      I expected this to happen at digit 15 or so.
      8c5e10ba
  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 2 commits