MEAM/C: Remove unused function (545e40f1) · Commits · 郑智淋 / lammps

src/USER-MEAMC/meam.h

+0 −1

Original line number	Diff line number	Diff line
		@@ -208,7 +208,6 @@ protected:
		void get_sijk(double, int, int, int, double*);
		void get_densref(double, int, int, double, double, double, double, double, double, double, double);
		void interpolate_meam(int);
		double compute_phi(double, int, int);

		public:
		void meam_setup_global(int nelt, lattice_t* lat, double* z, int* ielement, double* atwt, double* alpha,

+0 −22

Original line number	Diff line number	Diff line
		@@ -770,25 +770,3 @@ MEAM::interpolate_meam(int ind)
		this->phirar6[ind][j] = 3.0 * this->phirar3[ind][j] / drar;
		}
		}

		//---------------------------------------------------------------------
		// Compute Rose energy function, I.16
		//
		double
		MEAM::compute_phi(double rij, int elti, int eltj)
		{
		double pp;
		int ind, kk;

		ind = this->eltind[elti][eltj];
		pp = rij * this->rdrar;
		kk = (int)pp;
		kk = std::min(kk, this->nrar - 2);
		pp = pp - kk;
		pp = std::min(pp, 1.0);
		double result =
		((this->phirar3[ind][kk] * pp + this->phirar2[ind][kk]) * pp + this->phirar1[ind][kk]) * pp +
		this->phirar[ind][kk];

		return result;
		}