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  1. Oct 14, 2021
    • Nicolas Essing's avatar
      Fixed a bug in constraint bfield calculation related to muffin tins. · faa0629e
      Nicolas Essing authored
      The muffin tin index was taken from the old mesh, which is not correct
      and can even give errors if it is larger than the total size in the
      new mesh.
      
      Introduced a function in the Chebyshev mesh module that calculates
      the index of the muffin tin radius. Formula for this is taken from
      KKRhost.
      Used this function where before the muffin tin index of the old mesh
      was used. Added the dependency on this function to the Makefile.
      faa0629e
  2. Oct 11, 2021
  3. Oct 08, 2021
  4. Oct 05, 2021
    • Nicolas Essing's avatar
      Continued working on the constraint fields inputs for KKRnano. · 08e62957
      Nicolas Essing authored
      The data is now stored at appropriate places and loaded in the
      corresponding part of the code.
      It is not used for any calculation yet.
      
      Code compiles, but is not tested in any other way.
      08e62957
    • Nicolas Essing's avatar
      Introduced the input parameters to control the constraint bfields. · ae4a07aa
      Nicolas Essing authored
      The parameters are taken from Sascha Brinkers presentation and should
      match what is implemented in KKRhost.
      The names are kept as close as possible to the inputcard keywords in
      KKRhost, thus they might differ from what they are called in the
      KKRhost code.
      
      Added the parameters to datastructures/InputParamsNew.txt and
      generated a new datastructures/InputParams_mod.F90 using
      the generate.sh skript.
      ae4a07aa
    • Nicolas Essing's avatar
      Fixed two small bugs in input generation · cc099999
      Nicolas Essing authored
      In generate.sh, the inputgenerator.py is now called as a local script.
      
      In inputgenerator.py, use /usr/bin/env to be independent of actual python installation dir.
      Explicitly use python2, which is needed by the skript and not always the default anymore.
      cc099999
  5. Oct 03, 2021
    • Nicolas Essing's avatar
      Fixed a bug in input reader. · 9e2e2ec9
      Nicolas Essing authored
      The parameter enable_quad_prec was introduced in InputParams_mod.F90,
      but not in InputParamsNew.txt, so it did not appear when recreating
      the Fortran module from the list of parameters.
      9e2e2ec9
  6. Sep 30, 2021
  7. Sep 28, 2021
  8. Sep 10, 2021
  9. Sep 09, 2021
  10. Sep 08, 2021
  11. Aug 18, 2021
  12. Aug 10, 2021
  13. Aug 09, 2021
  14. Aug 05, 2021
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