make certain, the molecular flag is always initialized
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@ -36,6 +36,7 @@ AtomVec::AtomVec(LAMMPS *lmp) : Pointers(lmp)
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forceclearflag = 0;
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size_data_bonus = 0;
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maxexchange = 0;
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molecular = 0;
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kokkosable = 0;
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