move functions in MathExtra namespace to math_extra.h header file (500363ab) · Commits · 郑智淋 / lammps

src/USER-MISC/pair_mesocnt.h

+0 −77

Original line number	Diff line number	Diff line
		@@ -108,83 +108,6 @@ class PairMesoCNT : public Pair {

		}

		// inlined matrix functions

		namespace MathExtra {

		// set matrix to zero

		inline void zeromat3(double m[3][3])
		{
		m[0][0] = m[0][1] = m[0][2] = 0.0;
		m[1][0] = m[1][1] = m[1][2] = 0.0;
		m[2][0] = m[2][1] = m[2][2] = 0.0;
		}

		inline void zeromat3(double **m)
		{
		m[0][0] = m[0][1] = m[0][2] = 0.0;
		m[1][0] = m[1][1] = m[1][2] = 0.0;
		m[2][0] = m[2][1] = m[2][2] = 0.0;
		}

		// add two matrices

		inline void plus3(const double m[3][3], double **m2,
		double **ans)
		{
		ans[0][0] = m[0][0]+m2[0][0];
		ans[0][1] = m[0][1]+m2[0][1];
		ans[0][2] = m[0][2]+m2[0][2];
		ans[1][0] = m[1][0]+m2[1][0];
		ans[1][1] = m[1][1]+m2[1][1];
		ans[1][2] = m[1][2]+m2[1][2];
		ans[2][0] = m[2][0]+m2[2][0];
		ans[2][1] = m[2][1]+m2[2][1];
		ans[2][2] = m[2][2]+m2[2][2];
		}

		// subtract two matrices

		inline void minus3(const double m[3][3], const double m2[3][3],
		double ans[3][3])
		{
		ans[0][0] = m[0][0]-m2[0][0];
		ans[0][1] = m[0][1]-m2[0][1];
		ans[0][2] = m[0][2]-m2[0][2];
		ans[1][0] = m[1][0]-m2[1][0];
		ans[1][1] = m[1][1]-m2[1][1];
		ans[1][2] = m[1][2]-m2[1][2];
		ans[2][0] = m[2][0]-m2[2][0];
		ans[2][1] = m[2][1]-m2[2][1];
		ans[2][2] = m[2][2]-m2[2][2];
		}

		inline void minus3(double **m, const double m2[3][3],
		double ans[3][3])
		{
		ans[0][0] = m[0][0]-m2[0][0];
		ans[0][1] = m[0][1]-m2[0][1];
		ans[0][2] = m[0][2]-m2[0][2];
		ans[1][0] = m[1][0]-m2[1][0];
		ans[1][1] = m[1][1]-m2[1][1];
		ans[1][2] = m[1][2]-m2[1][2];
		ans[2][0] = m[2][0]-m2[2][0];
		ans[2][1] = m[2][1]-m2[2][1];
		ans[2][2] = m[2][2]-m2[2][2];
		}

		// compute outer product of two vectors

		inline void outer3(const double v1, const double v2,
		double ans[3][3])
		{
		ans[0][0] = v1[0]v2[0]; ans[0][1] = v1[0]v2[1]; ans[0][2] = v1[0]*v2[2];
		ans[1][0] = v1[1]v2[0]; ans[1][1] = v1[1]v2[1]; ans[1][2] = v1[1]*v2[2];
		ans[2][0] = v1[2]v2[0]; ans[2][1] = v1[2]v2[1]; ans[2][2] = v1[2]*v2[2];
		}
		}

		#endif
		#endif

src/math_extra.h

+83 −0

Original line number	Diff line number	Diff line
		@@ -43,6 +43,9 @@ namespace MathExtra {

		// 3x3 matrix operations

		inline void zeromat3(double m[3][3]);
		inline void zeromat3(double **m);

		inline void col2mat(const double ex, const double ey, const double *ez,
		double m[3][3]);
		inline double det3(const double mat[3][3]);
		@@ -52,6 +55,12 @@ namespace MathExtra {
		double ans[3][3]);
		inline void plus3(const double m[3][3], const double m2[3][3],
		double ans[3][3]);
		inline void plus3(const double m[3][3], double m2, double ans);
		inline void minus3(const double m[3][3], const double m2[3][3],
		double ans[3][3]);
		inline void minus3(double **m, const double m2[3][3],
		double ans[3][3]);

		inline void times3(const double m[3][3], const double m2[3][3],
		double ans[3][3]);
		inline void transpose_times3(const double m[3][3], const double m2[3][3],
		@@ -71,6 +80,8 @@ namespace MathExtra {
		double ans[3][3]);
		inline void vecmat(const double v, const double m[3][3], double ans);
		inline void scalar_times3(const double f, double m[3][3]);
		inline void outer3(const double v1, const double v2,
		double ans[3][3]);

		void write3(const double mat[3][3]);
		int mldivide3(const double mat[3][3], const double vec, double ans);
		@@ -707,4 +718,76 @@ inline void MathExtra::rotation_generator_z(const double m[3][3],
		ans[2][2] = 0;
		}

		// set matrix to zero

		inline void MathExtra::zeromat3(double m[3][3])
		{
		m[0][0] = m[0][1] = m[0][2] = 0.0;
		m[1][0] = m[1][1] = m[1][2] = 0.0;
		m[2][0] = m[2][1] = m[2][2] = 0.0;
		}

		inline void MathExtra::zeromat3(double **m)
		{
		m[0][0] = m[0][1] = m[0][2] = 0.0;
		m[1][0] = m[1][1] = m[1][2] = 0.0;
		m[2][0] = m[2][1] = m[2][2] = 0.0;
		}

		// add two matrices

		inline void MathExtra::plus3(const double m[3][3], double **m2,
		double **ans)
		{
		ans[0][0] = m[0][0]+m2[0][0];
		ans[0][1] = m[0][1]+m2[0][1];
		ans[0][2] = m[0][2]+m2[0][2];
		ans[1][0] = m[1][0]+m2[1][0];
		ans[1][1] = m[1][1]+m2[1][1];
		ans[1][2] = m[1][2]+m2[1][2];
		ans[2][0] = m[2][0]+m2[2][0];
		ans[2][1] = m[2][1]+m2[2][1];
		ans[2][2] = m[2][2]+m2[2][2];
		}

		// subtract two matrices

		inline void MathExtra::minus3(const double m[3][3], const double m2[3][3],
		double ans[3][3])
		{
		ans[0][0] = m[0][0]-m2[0][0];
		ans[0][1] = m[0][1]-m2[0][1];
		ans[0][2] = m[0][2]-m2[0][2];
		ans[1][0] = m[1][0]-m2[1][0];
		ans[1][1] = m[1][1]-m2[1][1];
		ans[1][2] = m[1][2]-m2[1][2];
		ans[2][0] = m[2][0]-m2[2][0];
		ans[2][1] = m[2][1]-m2[2][1];
		ans[2][2] = m[2][2]-m2[2][2];
		}

		inline void MathExtra::minus3(double **m, const double m2[3][3],
		double ans[3][3])
		{
		ans[0][0] = m[0][0]-m2[0][0];
		ans[0][1] = m[0][1]-m2[0][1];
		ans[0][2] = m[0][2]-m2[0][2];
		ans[1][0] = m[1][0]-m2[1][0];
		ans[1][1] = m[1][1]-m2[1][1];
		ans[1][2] = m[1][2]-m2[1][2];
		ans[2][0] = m[2][0]-m2[2][0];
		ans[2][1] = m[2][1]-m2[2][1];
		ans[2][2] = m[2][2]-m2[2][2];
		}

		// compute outer product of two vectors

		inline void MathExtra::outer3(const double v1, const double v2,
		double ans[3][3])
		{
		ans[0][0] = v1[0]v2[0]; ans[0][1] = v1[0]v2[1]; ans[0][2] = v1[0]*v2[2];
		ans[1][0] = v1[1]v2[0]; ans[1][1] = v1[1]v2[1]; ans[1][2] = v1[1]*v2[2];
		ans[2][0] = v1[2]v2[0]; ans[2][1] = v1[2]v2[1]; ans[2][2] = v1[2]*v2[2];
		}

		#endif

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