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  • src/Dynamics/LinearInterpolationBetweenSteps.hpp

    r6f0841 re554d0  
    9191      }
    9292    }
    93 
    94 //    // store the list to single step files
    95 //    int *SortIndex = new int[atoms.size()];
    96 //    for (int i=atoms.size(); i--; )
    97 //      SortIndex[i] = i;
    98 //
    99 //    status = MoleculePerStep->OutputConfigForListOfFragments(prefix, SortIndex);
    100 //    delete[](SortIndex);
    10193  };
    10294
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