Fixed problem with static const (a925734a) · Commits · 郑智淋 / lammps

src/pair_lj_cubic.cpp

+9 −0

Original line number	Diff line number	Diff line
		@@ -34,6 +34,15 @@ using namespace LAMMPS_NS;
		#define MIN(a,b) ((a) < (b) ? (a) : (b))
		#define MAX(a,b) ((a) > (b) ? (a) : (b))

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

		const double PairLJCubic::rt6two = 1.1224621; // 2^1/6
		const double PairLJCubic::s = 1.1086834; // inflection point = (13/7)^1/6
		const double PairLJCubic::phis = -0.7869823; // energy at s
		const double PairLJCubic::dphids = 2.6899009; // gradient at s
		const double PairLJCubic::a3 = 27.93357; // cubic coefficient
		const double PairLJCubic::sm = 1.5475375; // cubic cutoff = s*67/48

		/* ---------------------------------------------------------------------- */

		PairLJCubic::PairLJCubic(LAMMPS *lmp) : Pair(lmp) {}

+6 −6

Original line number	Diff line number	Diff line
		@@ -45,12 +45,12 @@ class PairLJCubic : public Pair {

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

		static const double rt6two = 1.1224621; // 2^1/6
		static const double s = 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
		static const double rt6two; // 2^1/6
		static const double s; // inflection point = (13/7)^1/6
		static const double phis; // energy at s
		static const double dphids; // gradient at s
		static const double a3; // cubic coefficient
		static const double sm; // cubic cutoff = s*67/48

		void allocate();
		};