silence some compiler warnings (b1f8c3f3) · Commits · 郑智淋 / lammps

src/MANYBODY/pair_airebo.cpp

+81 −80

Original line number	Diff line number	Diff line
		@@ -3193,6 +3193,7 @@ double PairAIREBO::piRCSpline(double Nij, double Nji, double Nijconj,
		dN3[0]=0.0;
		dN3[1]=0.0;
		dN3[2]=0.0;
		piRC=0.0;

		if (typei==0 && typej==0) {

		@@ -4343,70 +4344,70 @@ void PairAIREBO::Sptricubic_patch_coeffs(
		) {
		const double C_inv[64][32] = {
		// output_matrix(2, 8*4, get_matrix(3))
		1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0,
		-3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -2, -1, 0, 0, 0, 0, 0, 0,
		2, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		-3, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -2, 0, -1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, 0, 3, 0, 0, 0, 0, 0,
		9, -9, -9, 9, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, -6, 3, -3, 0, 0, 0, 0, 6, 3, -6, -3, 0, 0, 0, 0,
		-6, 6, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -4, 4, -2, 2, 0, 0, 0, 0, -3, -3, 3, 3, 0, 0, 0, 0,
		2, 0, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, -2, 0, 0, 0, 0, 0,
		-6, 6, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, 3, -3, 3, 0, 0, 0, 0, -4, -2, 4, 2, 0, 0, 0, 0,
		4, -4, -4, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, -2, 2, -2, 0, 0, 0, 0, 2, 2, -2, -2, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, -3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 2, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, -3, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 9, -9, -9, 9, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, -6, 6, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 2, 0, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, -6, 6, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 4, -4, -4, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		-3, 0, 0, 0, 3, 0, 0, 0, -2, 0, 0, 0, -1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, 0, 0, 0, 3, 0, 0, 0,
		9, -9, 0, 0, -9, 9, 0, 0, 6, -6, 0, 0, 3, -3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 3, 0, 0, -6, -3, 0, 0,
		-6, 6, 0, 0, 6, -6, 0, 0, -4, 4, 0, 0, -2, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, -3, 0, 0, 3, 3, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 9, -9, 0, 0, -9, 9, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -6, 6, 0, 0, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		9, 0, -9, 0, -9, 0, 9, 0, 6, 0, -6, 0, 3, 0, -3, 0, 6, 0, 3, 0, -6, 0, -3, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 9, 0, -9, 0, -9, 0, 9, 0,
		-27, 27, 27,-27, 27,-27,-27, 27,-18, 18, 18,-18, -9, 9, 9, -9,-18, 18, -9, 9, 18,-18, 9, -9,-18, -9, 18, 9, 18, 9,-18, -9,
		18,-18,-18, 18,-18, 18, 18,-18, 12,-12,-12, 12, 6, -6, -6, 6, 12,-12, 6, -6,-12, 12, -6, 6, 9, 9, -9, -9, -9, -9, 9, 9,
		-6, 0, 6, 0, 6, 0, -6, 0, -4, 0, 4, 0, -2, 0, 2, 0, -3, 0, -3, 0, 3, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -6, 0, 6, 0, 6, 0, -6, 0,
		18,-18,-18, 18,-18, 18, 18,-18, 12,-12,-12, 12, 6, -6, -6, 6, 9, -9, 9, -9, -9, 9, -9, 9, 12, 6,-12, -6,-12, -6, 12, 6,
		-12, 12, 12,-12, 12,-12,-12, 12, -8, 8, 8, -8, -4, 4, 4, -4, -6, 6, -6, 6, 6, -6, 6, -6, -6, -6, 6, 6, 6, 6, -6, -6,
		2, 0, 0, 0, -2, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, -2, 0, 0, 0,
		-6, 6, 0, 0, 6, -6, 0, 0, -3, 3, 0, 0, -3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -4, -2, 0, 0, 4, 2, 0, 0,
		4, -4, 0, 0, -4, 4, 0, 0, 2, -2, 0, 0, 2, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 2, 0, 0, -2, -2, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -6, 6, 0, 0, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, -4, 0, 0, -4, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		-6, 0, 6, 0, 6, 0, -6, 0, -3, 0, 3, 0, -3, 0, 3, 0, -4, 0, -2, 0, 4, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -6, 0, 6, 0, 6, 0, -6, 0,
		18,-18,-18, 18,-18, 18, 18,-18, 9, -9, -9, 9, 9, -9, -9, 9, 12,-12, 6, -6,-12, 12, -6, 6, 12, 6,-12, -6,-12, -6, 12, 6,
		-12, 12, 12,-12, 12,-12,-12, 12, -6, 6, 6, -6, -6, 6, 6, -6, -8, 8, -4, 4, 8, -8, 4, -4, -6, -6, 6, 6, 6, 6, -6, -6,
		4, 0, -4, 0, -4, 0, 4, 0, 2, 0, -2, 0, 2, 0, -2, 0, 2, 0, 2, 0, -2, 0, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, -4, 0, -4, 0, 4, 0,
		-12, 12, 12,-12, 12,-12,-12, 12, -6, 6, 6, -6, -6, 6, 6, -6, -6, 6, -6, 6, 6, -6, 6, -6, -8, -4, 8, 4, 8, 4, -8, -4,
		8, -8, -8, 8, -8, 8, 8, -8, 4, -4, -4, 4, 4, -4, -4, 4, 4, -4, 4, -4, -4, 4, -4, 4, 4, 4, -4, -4, -4, -4, 4, 4,
		{ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0},
		{-3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -2, -1, 0, 0, 0, 0, 0, 0},
		{ 2, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{-3, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -2, 0, -1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, 0, 3, 0, 0, 0, 0, 0},
		{ 9, -9, -9, 9, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, -6, 3, -3, 0, 0, 0, 0, 6, 3, -6, -3, 0, 0, 0, 0},
		{-6, 6, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -4, 4, -2, 2, 0, 0, 0, 0, -3, -3, 3, 3, 0, 0, 0, 0},
		{ 2, 0, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, -2, 0, 0, 0, 0, 0},
		{-6, 6, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, 3, -3, 3, 0, 0, 0, 0, -4, -2, 4, 2, 0, 0, 0, 0},
		{ 4, -4, -4, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, -2, 2, -2, 0, 0, 0, 0, 2, 2, -2, -2, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, -3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 2, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, -3, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 9, -9, -9, 9, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, -6, 6, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, -6, 6, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 4, -4, -4, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{-3, 0, 0, 0, 3, 0, 0, 0, -2, 0, 0, 0, -1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, 0, 0, 0, 3, 0, 0, 0},
		{ 9, -9, 0, 0, -9, 9, 0, 0, 6, -6, 0, 0, 3, -3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 3, 0, 0, -6, -3, 0, 0},
		{-6, 6, 0, 0, 6, -6, 0, 0, -4, 4, 0, 0, -2, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, -3, 0, 0, 3, 3, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -3, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 9, -9, 0, 0, -9, 9, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -6, 6, 0, 0, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 9, 0, -9, 0, -9, 0, 9, 0, 6, 0, -6, 0, 3, 0, -3, 0, 6, 0, 3, 0, -6, 0, -3, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 9, 0, -9, 0, -9, 0, 9, 0},
		{-27,27, 27,-27, 27,-27,-27, 27,-18, 18, 18,-18, -9, 9, 9, -9,-18, 18, -9, 9, 18,-18, 9, -9,-18, -9, 18, 9, 18, 9,-18, -9},
		{18,-18,-18, 18,-18, 18, 18,-18, 12,-12,-12, 12, 6, -6, -6, 6, 12,-12, 6, -6,-12, 12, -6, 6, 9, 9, -9, -9, -9, -9, 9, 9},
		{-6, 0, 6, 0, 6, 0, -6, 0, -4, 0, 4, 0, -2, 0, 2, 0, -3, 0, -3, 0, 3, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -6, 0, 6, 0, 6, 0, -6, 0},
		{18,-18,-18, 18,-18, 18, 18,-18, 12,-12,-12, 12, 6, -6, -6, 6, 9, -9, 9, -9, -9, 9, -9, 9, 12, 6,-12, -6,-12, -6, 12, 6},
		{-12,12, 12,-12, 12,-12,-12, 12, -8, 8, 8, -8, -4, 4, 4, -4, -6, 6, -6, 6, 6, -6, 6, -6, -6, -6, 6, 6, 6, 6, -6, -6},
		{ 2, 0, 0, 0, -2, 0, 0, 0, 1, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, -2, 0, 0, 0},
		{-6, 6, 0, 0, 6, -6, 0, 0, -3, 3, 0, 0, -3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -4, -2, 0, 0, 4, 2, 0, 0},
		{ 4, -4, 0, 0, -4, 4, 0, 0, 2, -2, 0, 0, 2, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 2, 0, 0, -2, -2, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -6, 6, 0, 0, 6, -6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, -4, 0, 0, -4, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{-6, 0, 6, 0, 6, 0, -6, 0, -3, 0, 3, 0, -3, 0, 3, 0, -4, 0, -2, 0, 4, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -6, 0, 6, 0, 6, 0, -6, 0},
		{18,-18,-18, 18,-18, 18, 18,-18, 9, -9, -9, 9, 9, -9, -9, 9, 12,-12, 6, -6,-12, 12, -6, 6, 12, 6,-12, -6,-12, -6, 12, 6},
		{-12,12, 12,-12, 12,-12,-12, 12, -6, 6, 6, -6, -6, 6, 6, -6, -8, 8, -4, 4, 8, -8, 4, -4, -6, -6, 6, 6, 6, 6, -6, -6},
		{ 4, 0, -4, 0, -4, 0, 4, 0, 2, 0, -2, 0, 2, 0, -2, 0, 2, 0, 2, 0, -2, 0, -2, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, -4, 0, -4, 0, 4, 0},
		{-12,12, 12,-12, 12,-12,-12, 12, -6, 6, 6, -6, -6, 6, 6, -6, -6, 6, -6, 6, 6, -6, 6, -6, -8, -4, 8, 4, 8, 4, -8, -4},
		{ 8, -8, -8, 8, -8, 8, 8, -8, 4, -4, -4, 4, 4, -4, -4, 4, 4, -4, 4, -4, -4, 4, -4, 4, 4, 4, -4, -4, -4, -4, 4, 4}
		};
		double dx = xmax - xmin;
		double dy = ymax - ymin;
		@@ -4456,22 +4457,22 @@ void PairAIREBO::Spbicubic_patch_coeffs(
		) {
		const double C_inv[16][12] = {
		// output_matrix(1, 4*3, get_matrix(2))
		1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0,
		-3, 3, 0, 0, 0, 0, 0, 0,-2,-1, 0, 0,
		2,-2, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0,
		0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0,-3, 3, 0, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 2,-2, 0, 0, 0, 0, 0, 0,
		-3, 0, 3, 0,-2, 0,-1, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0,-3, 0, 3, 0,
		9,-9,-9, 9, 6,-6, 3,-3, 6, 3,-6,-3,
		-6, 6, 6,-6,-4, 4,-2, 2,-3,-3, 3, 3,
		2, 0,-2, 0, 1, 0, 1, 0, 0, 0, 0, 0,
		0, 0, 0, 0, 0, 0, 0, 0, 2, 0,-2, 0,
		-6, 6, 6,-6,-3, 3,-3, 3,-4,-2, 4, 2,
		4,-4,-4, 4, 2,-2, 2,-2, 2, 2,-2,-2,
		{ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0},
		{-3, 3, 0, 0, 0, 0, 0, 0,-2,-1, 0, 0},
		{ 2,-2, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0},
		{ 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0,-3, 3, 0, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 2,-2, 0, 0, 0, 0, 0, 0},
		{-3, 0, 3, 0,-2, 0,-1, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0,-3, 0, 3, 0},
		{ 9,-9,-9, 9, 6,-6, 3,-3, 6, 3,-6,-3},
		{-6, 6, 6,-6,-4, 4,-2, 2,-3,-3, 3, 3},
		{ 2, 0,-2, 0, 1, 0, 1, 0, 0, 0, 0, 0},
		{ 0, 0, 0, 0, 0, 0, 0, 0, 2, 0,-2, 0},
		{-6, 6, 6,-6,-3, 3,-3, 3,-4,-2, 4, 2},
		{ 4,-4,-4, 4, 2,-2, 2,-2, 2, 2,-2,-2}
		};
		double dx = xmax - xmin;
		double dy = ymax - ymin;

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