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    b9fd1156
    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
    History
    Completed first version of fix python/integrate
    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.