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  • Giovanni Bussi's avatar
    9a2ec429
    Small cleanup in WholeMolecules · 9a2ec429
    Giovanni Bussi authored 
    * Eliminated a possible tricky method to modify atom by relative index
* Eliminated duplicates in requested atom list

I also added a operators to AtomNumber, so it can be sorted with STL
algorithms
    9a2ec429
    History
    Small cleanup in WholeMolecules
    Giovanni Bussi authored 
    * Eliminated a possible tricky method to modify atom by relative index
* Eliminated duplicates in requested atom list

I also added a operators to AtomNumber, so it can be sorted with STL
algorithms
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