1. 03 Aug, 2017 1 commit
  2. 02 Aug, 2017 1 commit
    • Gregor Michalicek's avatar
      Fix segmentation fault in init/brzone2.f90 · 4a3f4f96
      Gregor Michalicek authored
      The problem was that some arrays had predefined sizes that were
      not adapted to the actual problem. I changed this for some arrays
      now but there are still some other arrays that may become a problem
      at some point, too.
  3. 09 Feb, 2017 1 commit
    • Gregor Michalicek's avatar
      Fixed bug in init/brzone2.f90 · 37b60e49
      Gregor Michalicek authored
      The problem was that in certain situations the origin was identified
      as a corner point of the IBZ while it actually was not. It is not a
      corner point if less than 3 faces of the IBZ feature this point.
  4. 01 Dec, 2016 2 commits
    • Gregor Michalicek's avatar
    • Gregor Michalicek's avatar
      Pushed up a threshold in init/brzone2.f90 · f7e8a952
      Gregor Michalicek authored
      The threshold was used at several places to decide whether two values
      are identical, on which side of a plane a point lies, and so on. The
      strict value before lead to problems as some points were not considered
      to be identical due to numerical reasons, although they were meant to
      be identical. The larger threshold now solves the problems.
      However, if more problems like this arise it should be checked whether
      the threshold has to have different values at different places in the
      code. Also additional code may be required to treat certain cases in
      a special way.
  5. 25 Nov, 2016 1 commit
  6. 24 Nov, 2016 4 commits
  7. 23 Nov, 2016 2 commits
    • Gregor Michalicek's avatar
      Some cleanup in init/brzone2.f90 · cf08e5fe
      Gregor Michalicek authored
    • Gregor Michalicek's avatar
      Introduced alternative construction of IBZ. · 0b0d3fb6
      Gregor Michalicek authored
      Since the routine brzone featured many bugs that occured in special
      cases I now reprogrammed the functionality of the routine in the
      new subroutine brzone2. The new algorithm is simpler and should
      be less vulnerable to the mentioned special cases. It also is slightly
      slower. The new routine takes about 2 seconds.
      By commenting the new routine out and the old one in both algorithms
      can directly be interchanged.