zero all six moments of inertia if small. (54862995) · Commits · 郑智淋 / lammps

src/BODY/body_nparticle.cpp

+7 −4

Original line number	Diff line number	Diff line
		@@ -150,6 +150,9 @@ void BodyNparticle::data_body(int ibonus, int ninteger, int ndouble,
		if (inertia[0] < EPSILON*max) inertia[0] = 0.0;
		if (inertia[1] < EPSILON*max) inertia[1] = 0.0;
		if (inertia[2] < EPSILON*max) inertia[2] = 0.0;
		if (inertia[3] < EPSILON*max) inertia[3] = 0.0;
		if (inertia[4] < EPSILON*max) inertia[4] = 0.0;
		if (inertia[5] < EPSILON*max) inertia[5] = 0.0;

		// exyz_space = principal axes in space frame

		@@ -209,7 +212,6 @@ int BodyNparticle::pack_data_body(tagint atomID, int ibonus, double *buf)
		double *inertia = bonus->inertia;
		int *ivalue = bonus->ivalue;
		double *dvalue = bonus->dvalue;

		int nsub = ivalue[0];

		if (buf) {
		@@ -265,9 +267,8 @@ int BodyNparticle::write_data_body(FILE fp, double buf)
		fmt::print(fp,"{} {} {}\n",ubuf(buf[m]).i,ubuf(buf[m+1]).i,ubuf(buf[m+2]).i);
		m += 3;

		const int nsub = (int) ubuf(buf[m]).i;
		const int nsub = (int) ubuf(buf[m++]).i;
		fmt::print(fp,"{}\n",nsub);
		m++;

		// inertia

		@@ -277,8 +278,10 @@ int BodyNparticle::write_data_body(FILE fp, double buf)

		// nsub vertices

		for (int i = 0; i < nsub; i++, m += 3)
		for (int i = 0; i < nsub; i++) {
		fmt::print(fp,"{} {} {}\n",buf[m],buf[m+1],buf[m+2]);
		m += 3;
		}

		return m;
		}