start writing tester for body/nparticle (18928c66) · Commits · 郑智淋 / lammps

src/BODY/body_nparticle.cpp

+6 −5

Original line number	Diff line number	Diff line
		@@ -214,18 +214,18 @@ int BodyNparticle::pack_data_body(tagint atomID, int ibonus, double *buf)

		if (buf) {

		// ID ninteger ndouble
		// line 1: ID ninteger ndouble

		m = 0;
		buf[m++] = ubuf(atomID).d;
		buf[m++] = ubuf(1).d;
		buf[m++] = ubuf(6 + 3*nsub).d;

		// single integer nsub
		// line 2: single integer nsub

		buf[m++] = ubuf(nsub).d;

		// 6 moments of inertia
		// line 3: 6 moments of inertia

		MathExtra::quat_to_mat(quat,p);
		MathExtra::times3_diag(p,inertia,pdiag);
		@@ -265,8 +265,9 @@ 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

+4 −2

Original line number	Diff line number	Diff line
		@@ -560,8 +560,10 @@ bigint AtomVecBody::memory_usage_bonus()

		int nall = nlocal_bonus + nghost_bonus;
		for (int i = 0; i < nall; i++) {
		bytes += bonus[i].ninteger * sizeof(int);
		bytes += bonus[i].ndouble * sizeof(double);
		if (body[i] >= 0) {
		bytes += bonus[body[i]].ninteger * sizeof(int);
		bytes += bonus[body[i]].ndouble * sizeof(double);
		}
		}

		return bytes;

+605 −1

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