Put constant in a namespace (2a3f4729) · Commits · 郑智淋 / lammps

src/pair_lj_cubic.cpp

+1 −9

Original line number	Diff line number	Diff line
		@@ -30,15 +30,7 @@
		#include "error.h"

		using namespace LAMMPS_NS;

		// LJ quantities scaled by epsilon and rmin = sigma*2^1/6

		#define RT6TWO 1.1224621 // 2^1/6
		#define SS 1.1086834 // inflection point (13/7)^1/6
		#define PHIS -0.7869823 // energy at s
		#define DPHIDS 2.6899009 // gradient at s
		#define A3 27.93357 // cubic coefficient
		#define SM 1.5475375 // cubic cutoff = s*67/48
		using namespace PairLJCubicConstants;

		#define MIN(a,b) ((a) < (b) ? (a) : (b))
		#define MAX(a,b) ((a) > (b) ? (a) : (b))

+13 −0

Original line number	Diff line number	Diff line
		@@ -46,6 +46,19 @@ class PairLJCubic : public Pair {
		void allocate();
		};

		namespace PairLJCubicConstants {

		// LJ quantities scaled by epsilon and rmin = sigma*2^1/6

		static const double RT6TWO = 1.1224621; // 2^1/6
		static const double SS = 1.1086834; // inflection point (13/7)^1/6
		static const double PHIS = -0.7869823; // energy at s
		static const double DPHIDS = 2.6899009; // gradient at s
		static const double A3 = 27.93357; // cubic coefficient
		static const double SM = 1.5475375; // cubic cutoff = s*67/48

		}

		}

		#endif