1. 25 Mar, 2019 1 commit
  2. 29 Mar, 2018 1 commit
  3. 28 Mar, 2018 1 commit
  4. 17 Oct, 2017 1 commit
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  7. 18 May, 2017 1 commit
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  9. 03 May, 2017 1 commit
  10. 26 Apr, 2017 1 commit
    • Gregor Michalicek's avatar
      Introduced "-old" mode in inpgen · 28d607fd
      Gregor Michalicek authored
      With -old mode only the old inp file is generated.
      Without -old mode only the new inp.xml file is generated.
      
      Also added some checks and errors if there already is an input file present.
      28d607fd
  11. 29 Jun, 2016 1 commit
  12. 31 May, 2016 1 commit
  13. 24 May, 2016 1 commit
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  15. 19 May, 2016 1 commit
  16. 12 May, 2016 1 commit
  17. 10 May, 2016 1 commit
  18. 28 Apr, 2016 1 commit
    • Gregor Michalicek's avatar
      Initial commit of xml input file generator. · 12c8019f
      Gregor Michalicek authored
      Besides the conventional input, the new inpgen now also generates an
      inp.xml file containing all required data to start a calculation. The
      commit also includes additional command line parameters for inpgen:
      
         "-explicit": This writes k-points, symmetry operations, and the Bravais
                      matrix explicitly into the inp.xml file.
         "-noXML":    This switches of the generation of the inp.xml file.
      12c8019f
  19. 26 Apr, 2016 2 commits