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  1. Dec 15, 2017
  2. Dec 06, 2017
  3. Dec 02, 2017
    • Richard Berger's avatar
      Rename fix python/integrate to python/move · f8891a44
      Richard Berger authored
      This is to avoid confusion to what LAMMPS considers to be an
      integrator like Verlet and RESPA.
      f8891a44
    • Richard Berger's avatar
      Completed first version of fix python/integrate · b9fd1156
      Richard Berger authored
      This includes an example of how to implement fix NVE in Python.
      
      The library interface was extended to provide direct access to atom data using
      numpy arrays. No data copies are made and numpy operations directly manipulate
      memory of the native code.
      
      To keep this numpy dependency optional, all functions are wrapped into the
      lammps.numpy sub-object which is only loaded when accessed.
      b9fd1156
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