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    Add a (contrived) molecular example for USER-QUIP · 4e0a249e
    Max Veit authored
    This example showcases the use of different 'special_bonds' settings for
    different pair styles, so quip gets all the bonded neighbours but lj can
    exclude them if it needs to.
    
    The results have been checked against a pure quip implementation of the
    potential; the expected lammps output is included.
    
    DISCLAIMER: This example mixes parameters for methane and silane and is
    NOT intended to be a realistic representation of either system.
    4e0a249e
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    Add a (contrived) molecular example for USER-QUIP
    Max Veit authored
    This example showcases the use of different 'special_bonds' settings for
    different pair styles, so quip gets all the bonded neighbours but lj can
    exclude them if it needs to.
    
    The results have been checked against a pure quip implementation of the
    potential; the expected lammps output is included.
    
    DISCLAIMER: This example mixes parameters for methane and silane and is
    NOT intended to be a realistic representation of either system.