correctly account for individually added bonds, angles, and dihedrals
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@ -342,6 +342,7 @@ void CreateBonds::single_bond()
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bond_atom[m][num_bond[m]] = batom2;
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num_bond[m]++;
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}
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++atom->nbonds;
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if (force->newton_bond) return;
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@ -389,6 +390,7 @@ void CreateBonds::single_angle()
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angle_atom3[m][num_angle[m]] = aatom3;
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num_angle[m]++;
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}
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++atom->nangles;
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if (force->newton_bond) return;
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@ -452,6 +454,7 @@ void CreateBonds::single_dihedral()
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dihedral_atom4[m][num_dihedral[m]] = datom4;
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num_dihedral[m]++;
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}
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++atom->ndihedrals;
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if (force->newton_bond) return;
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