replace variable length arrays in compute basal/atom with new/delete (345c2128) · Commits · 郑智淋 / lammps

src/USER-MISC/compute_basal_atom.cpp

+11 −5

Original line number	Diff line number	Diff line
		@@ -204,8 +204,11 @@ void ComputeBasalAtom::compute_peratom()
		double bond_angle;
		double norm_j, norm_k;
		chi[0] = chi[1] = chi[2] = chi[3] = chi[4] = chi[5] = chi[6] = chi[7] = 0;
		double x_ij, y_ij, z_ij, x_ik, y_ik, z_ik,x3[n0],y3[n0],z3[n0],
		xmean5, ymean5, zmean5, xmean6, ymean6, zmean6, xmean7, ymean7, zmean7;
		double x_ij, y_ij, z_ij, x_ik, y_ik, z_ik, xmean5, ymean5, zmean5,
		xmean6, ymean6, zmean6, xmean7, ymean7, zmean7;
		double *x3 = new double[n0];
		double *y3 = new double[n0];
		double *z3 = new double[n0];
		for (j = 0; j < n0; j++) {
		x_ij = x[i][0]-x[nearest_n0[j]][0];
		y_ij = x[i][1]-x[nearest_n0[j]][1];
		@@ -411,9 +414,12 @@ void ComputeBasalAtom::compute_peratom()
		}
		}
		}
		}
		//if there are less than two ~180 degree bond angles, the algorithm returns null
		else BPV[i][0] = BPV[i][1] = BPV[i][2] = 0.0;
		} else BPV[i][0] = BPV[i][1] = BPV[i][2] = 0.0;

		delete[] x3;
		delete[] y3;
		delete[] z3;

		//normalize BPV:
		double Mag = sqrt(BPV[i][0]*BPV[i][0] +