1. 04 May, 2017 1 commit
  2. 03 May, 2017 1 commit
  3. 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
  4. 29 Jun, 2016 1 commit
  5. 31 May, 2016 1 commit
  6. 24 May, 2016 1 commit
  7. 20 May, 2016 1 commit
  8. 19 May, 2016 1 commit
  9. 12 May, 2016 1 commit
  10. 10 May, 2016 1 commit
  11. 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
  12. 26 Apr, 2016 2 commits