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src/Dynamics/LinearInterpolationBetweenSteps.hpp
r6f0841 re554d0 91 91 } 92 92 } 93 94 // // store the list to single step files95 // 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);101 93 }; 102 94
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