1. 27 Jul, 2017 1 commit
  2. 21 Jul, 2017 1 commit
  3. 20 Jul, 2017 1 commit
  4. 19 Jul, 2017 1 commit
  5. 18 Jul, 2017 1 commit
    • Daniel Wortmann's avatar
      Reordered the hybrid code. · dd1053a5
      Daniel Wortmann authored
      Now fleur.F90 calls a subroutine that does most of the hybrid stuff.
      In eigen.F90 only the non-local potential is added to the Hamiltonian
      dd1053a5
  6. 17 Jul, 2017 1 commit
  7. 14 Jul, 2017 2 commits
  8. 11 Jul, 2017 3 commits
  9. 10 Jul, 2017 2 commits
  10. 09 Jul, 2017 1 commit
  11. 06 Jul, 2017 1 commit
  12. 05 Jul, 2017 2 commits
    • Gregor Michalicek's avatar
      Some initializations that may prevent writing garbage to the garbage section of cdn.hdf · 84bb95e9
      Gregor Michalicek authored
      valgrind reports that some uninitialized bytes are in a buffer to be written out to cdn.hdf.
      The bytes surely are in that part of the buffer that does not contain relevant data. To me
      The reported line for the error source is the close operation for the file. Therefore
      it is not clear whether this originates from fleur or from HDF5. I can only identify that
      this appeared while writing out the stars. Therefore I initialized every associated array
      that did not seem to be initialized before setting the relevant elements to certain values.
      
      I had to start valgrind with --num-callers=25 to see at least the fleur context for the
      reported missing initializations.
      84bb95e9
    • Gregor Michalicek's avatar
      Some initializations. I don't see how they should be important... · 73adfb0f
      Gregor Michalicek authored
      ...but Lord Valgrind demands that I correct them. :)
      73adfb0f
  13. 04 Jul, 2017 2 commits
  14. 03 Jul, 2017 13 commits
  15. 02 Jul, 2017 1 commit
    • Gregor Michalicek's avatar
      Corrected theoretically possible segmentation fault in io/xmlIntWrapFort.f90 · 50806f8b
      Gregor Michalicek authored
      The issue was due to the reading of a c string into a fortran character array.
      Up to now all 255 elements were read into the array and later the output
      was reduced to the part in front of the c string termination null character.
      
      Of course, this is wrong and valgrind complained. Everything after the string
      termination character might not belong to the program. Therefore I fixed this.
      But to my knowledge this issue never produced a problem.
      50806f8b
  16. 01 Jul, 2017 4 commits
  17. 29 Jun, 2017 1 commit
  18. 27 Jun, 2017 2 commits