move inline functions to the only place they are used. no need to use size_t... (47fc31d0) · Commits · 郑智淋 / lammps

src/USER-MEAMC/meam.h

+0 −15

Original line number	Diff line number	Diff line
		@@ -234,21 +234,6 @@ static inline bool iszero(const double f) {
		return fabs(f) < 1e-20;
		}

		template <typename TYPE, size_t maxi, size_t maxj>
		static inline void setall2d(TYPE (&arr)[maxi][maxj], const TYPE v) {
		for (size_t i = 0; i < maxi; i++)
		for (size_t j = 0; j < maxj; j++)
		arr[i][j] = v;
		}

		template <typename TYPE, size_t maxi, size_t maxj, size_t maxk>
		static inline void setall3d(TYPE (&arr)[maxi][maxj][maxk], const TYPE v) {
		for (size_t i = 0; i < maxi; i++)
		for (size_t j = 0; j < maxj; j++)
		for (size_t k = 0; k < maxk; k++)
		arr[i][j][k] = v;
		}

		// Helper functions

		static inline double fdiv_zero(const double n, const double d) {

+16 −1

Original line number	Diff line number	Diff line
		@@ -2,6 +2,21 @@
		#include <cmath>
		using namespace LAMMPS_NS;

		template <typename TYPE, int maxi, int maxj>
		static inline void setall2d(TYPE (&arr)[maxi][maxj], const TYPE v) {
		for (int i = 0; i < maxi; i++)
		for (int j = 0; j < maxj; j++)
		arr[i][j] = v;
		}

		template <typename TYPE, int maxi, int maxj, int maxk>
		static inline void setall3d(TYPE (&arr)[maxi][maxj][maxk], const TYPE v) {
		for (int i = 0; i < maxi; i++)
		for (int j = 0; j < maxj; j++)
		for (int k = 0; k < maxk; k++)
		arr[i][j][k] = v;
		}

		void
		MEAM::meam_setup_global(int nelt, lattice_t* lat, double* z, int* ielement, double* /atwt/, double* alpha,
		double* b0, double* b1, double* b2, double* b3, double* alat, double* esub,
		@@ -56,7 +71,7 @@ MEAM::meam_setup_global(int nelt, lattice_t* lat, double* z, int* ielement, doub
		setall2d(this->repuls_meam, 0.0);
		setall3d(this->Cmax_meam, 2.8);
		setall3d(this->Cmin_meam, 2.0);
		setall2d(this->ebound_meam, pow(2.8, 2) / (4.0 * (2.8 - 1.0)));
		setall2d(this->ebound_meam, (2.82.8) / (4.0 (2.8 - 1.0)));
		setall2d(this->delta_meam, 0.0);
		setall2d(this->nn2_meam, 0);
		setall2d(this->zbl_meam, 1);