correctly account for individually added bonds, angles, and dihedrals (6070182f) · Commits · 郑智淋 / lammps

src/create_bonds.cpp

+3 −0

Original line number	Diff line number	Diff line
		@@ -342,6 +342,7 @@ void CreateBonds::single_bond()
		bond_atom[m][num_bond[m]] = batom2;
		num_bond[m]++;
		}
		++atom->nbonds;

		if (force->newton_bond) return;

		@@ -389,6 +390,7 @@ void CreateBonds::single_angle()
		angle_atom3[m][num_angle[m]] = aatom3;
		num_angle[m]++;
		}
		++atom->nangles;

		if (force->newton_bond) return;

		@@ -452,6 +454,7 @@ void CreateBonds::single_dihedral()
		dihedral_atom4[m][num_dihedral[m]] = datom4;
		num_dihedral[m]++;
		}
		++atom->ndihedrals;

		if (force->newton_bond) return;