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crocusino

mdoptcli news

v1.2 (2018.05.01)

  • -format introduced to opt between "%20.14f" and "%20.14g" format
    for printed/scanned energy/gradient values. It defauls to the former
    so that bc can also be used for the energy/gradient evaluation.
  • -version prints the program version
  • code fixes and improvemnets

v1.1 (2018.03.23)

  • fixed a bug concerning I/O from the pipe, no strange random behaviour any more
  • the -fdf option in gradient methods is now optional
  • code improvements

v1.0 (2018.03.16)

  • Simplex, Conjugate Gradient and BFGS algorithms available