1. 13 Feb, 2017 1 commit
  2. 19 Jan, 2017 1 commit
  3. 17 Jan, 2017 3 commits
  4. 14 Dec, 2016 1 commit
    • Gregor Michalicek's avatar
      Changed output slightly to correct output conversion errors · c30964a1
      Gregor Michalicek authored
      At some places input files for the input file generator lead
      to "output conversion errors" in the debug version of inpgen, i.e.,
      instead of numbers something like *** was written out. This happened
      if the input contained too many atoms or the unit cell was too
      long in one of the dimensions. I added a few digits to the output
      at the respective places to overcome this problem.
      c30964a1
  5. 07 Dec, 2016 1 commit
  6. 25 Nov, 2016 1 commit
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  11. 06 Oct, 2016 2 commits
  12. 05 Oct, 2016 1 commit
  13. 30 Sep, 2016 2 commits
  14. 29 Sep, 2016 1 commit
    • Gregor Michalicek's avatar
      Increased efficiency of spg_gen · e0da273a
      Gregor Michalicek authored
      spg_gen became a limiting code part for large unit cells as
      parts of it scaled with the number_of_atoms^4. I rewrote
      certain parts of it in a more efficient way. Better scaling
      now.
      
      I hope I didn't damage anything.
      e0da273a
  15. 26 Sep, 2016 1 commit
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  17. 06 Sep, 2016 1 commit
  18. 30 Aug, 2016 1 commit
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  22. 04 Jul, 2016 3 commits
  23. 30 Jun, 2016 1 commit
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  28. 08 Jun, 2016 1 commit
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  32. 20 May, 2016 1 commit