must not override flag for negative angles and bonds (5f14d5c8) · Commits · 郑智淋 / lammps

src/MOLECULE/atom_vec_angle.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -101,7 +101,7 @@ void AtomVecAngle::pack_restart_pre(int ilocal)

		// flip any negative types to positive and flag which ones

		int any_bond_negative = 0;
		any_bond_negative = 0;
		for (int m = 0; m < num_bond[ilocal]; m++) {
		if (bond_type[ilocal][m] < 0) {
		bond_negative[m] = 1;
		@@ -110,7 +110,7 @@ void AtomVecAngle::pack_restart_pre(int ilocal)
		} else bond_negative[m] = 0;
		}

		int any_angle_negative = 0;
		any_angle_negative = 0;
		for (int m = 0; m < num_angle[ilocal]; m++) {
		if (angle_type[ilocal][m] < 0) {
		angle_negative[m] = 1;