Fix some shadowing warnings (f092da80) · Commits · 郑智淋 / lammps

src/USER-MEAMC/meam.h

+2 −2

Original line number	Diff line number	Diff line
		@@ -109,8 +109,8 @@ public:
		double scrfcn,dscrfcn,*fcpair;
		protected:
		void meam_checkindex(int, int, int, int, int);
		void G_gam(double, int, double, double, int);
		void dG_gam(double, int, double, double, double);
		void G_gam(double, int, double, int);
		void dG_gam(double, int, double, double);
		void getscreen(int i, double* scrfcn, double* dscrfcn, double* fcpair,
		double** x, int numneigh, int* firstneigh, int numneigh_full,
		int* firstneigh_full, int ntype, int* type, int* fmap);

src/USER-MEAMC/meam_dens_final.cpp

+6 −10

Original line number	Diff line number	Diff line
		@@ -81,8 +81,7 @@ MEAM::meam_dens_final(int* nlocal, int* eflag_either, int* eflag_global,

		Z = this->Z_meam[elti];

		G_gam(arr1v(gamma, i), this->ibar_meam[elti],
		this->gsmooth_factor, &G, errorflag);
		G_gam(arr1v(gamma, i), this->ibar_meam[elti], &G, errorflag);
		if (*errorflag != 0)
		return;
		get_shpfcn(shp, this->lattce_meam[elti][elti]);
		@@ -100,8 +99,7 @@ MEAM::meam_dens_final(int* nlocal, int* eflag_either, int* eflag_global,
		this->t3_meam[elti] * shp[3]) /
		(Z * Z);
		}
		G_gam(gam, this->ibar_meam[elti], this->gsmooth_factor, &Gbar,
		errorflag);
		G_gam(gam, this->ibar_meam[elti], &Gbar, errorflag);
		}
		arr1v(rho, i) = arr1v(rho0, i) * G;

		@@ -113,8 +111,7 @@ MEAM::meam_dens_final(int* nlocal, int* eflag_either, int* eflag_global,
		gam = (arr2v(t_ave, 1, i) * shp[1] + arr2v(t_ave, 2, i) * shp[2] +
		arr2v(t_ave, 3, i) * shp[3]) /
		(Z * Z);
		dG_gam(gam, this->ibar_meam[elti], this->gsmooth_factor,
		&Gbar, &dGbar);
		dG_gam(gam, this->ibar_meam[elti], &Gbar, &dGbar);
		}
		rho_bkgd = this->rho0_meam[elti] * Z * Gbar;
		} else {
		@@ -127,8 +124,7 @@ MEAM::meam_dens_final(int* nlocal, int* eflag_either, int* eflag_global,
		rhob = arr1v(rho, i) / rho_bkgd;
		denom = 1.0 / rho_bkgd;

		dG_gam(arr1v(gamma, i), this->ibar_meam[elti],
		this->gsmooth_factor, &G, &dG);
		dG_gam(arr1v(gamma, i), this->ibar_meam[elti], &G, &dG);

		arr1v(dgamma1, i) = (G - 2 * dG * arr1v(gamma, i)) * denom;

		@@ -185,7 +181,7 @@ MEAM::meam_dens_final(int* nlocal, int* eflag_either, int* eflag_global,
		// ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc

		void
		MEAM::G_gam(double gamma, int ibar, double gsmooth_factor, double* G, int* errorflag)
		MEAM::G_gam(double gamma, int ibar, double* G, int* errorflag)
		{
		// Compute G(gamma) based on selection flag ibar:
		// 0 => G = sqrt(1+gamma)
		@@ -226,7 +222,7 @@ MEAM::G_gam(double gamma, int ibar, double gsmooth_factor, double* G, int* error
		// ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc

		void
		MEAM::dG_gam(double gamma, int ibar, double gsmooth_factor, double* G, double* dG)
		MEAM::dG_gam(double gamma, int ibar, double* G, double* dG)
		{
		// Compute G(gamma) and dG(gamma) based on selection flag ibar:
		// 0 => G = sqrt(1+gamma)

src/USER-MEAMC/meam_setup_done.cpp

+5 −10

Original line number	Diff line number	Diff line
		@@ -471,16 +471,14 @@ MEAM::phi_meam(double r, int a, int b)
		else {
		get_shpfcn(s1, this->lattce_meam[a][a]);
		Gam1 = (s1[1] * t11av + s1[2] * t21av + s1[3] * t31av) / (Z1 * Z1);
		G_gam(Gam1, this->ibar_meam[a], this->gsmooth_factor, &G1,
		&errorflag);
		G_gam(Gam1, this->ibar_meam[a], &G1, &errorflag);
		}
		if (this->ibar_meam[b] <= 0)
		G2 = 1.0;
		else {
		get_shpfcn(s2, this->lattce_meam[b][b]);
		Gam2 = (s2[1] * t12av + s2[2] * t22av + s2[3] * t32av) / (Z2 * Z2);
		G_gam(Gam2, this->ibar_meam[b], this->gsmooth_factor, &G2,
		&errorflag);
		G_gam(Gam2, this->ibar_meam[b], &G2, &errorflag);
		}
		rho0_1 = this->rho0_meam[a] * Z1 * G1;
		rho0_2 = this->rho0_meam[b] * Z2 * G2;
		@@ -497,10 +495,8 @@ MEAM::phi_meam(double r, int a, int b)
		else
		Gam2 = Gam2 / (rho02 * rho02);

		G_gam(Gam1, this->ibar_meam[a], this->gsmooth_factor, &G1,
		&errorflag);
		G_gam(Gam2, this->ibar_meam[b], this->gsmooth_factor, &G2,
		&errorflag);
		G_gam(Gam1, this->ibar_meam[a], &G1, &errorflag);
		G_gam(Gam2, this->ibar_meam[b], &G2, &errorflag);
		if (this->mix_ref_t == 1) {
		rho_bkgd1 = rho0_1;
		rho_bkgd2 = rho0_2;
		@@ -602,8 +598,7 @@ MEAM::compute_reference_density(void)
		gam = (this->t1_meam[a] * shp[1] + this->t2_meam[a] * shp[2] +
		this->t3_meam[a] * shp[3]) /
		(Z * Z);
		G_gam(gam, this->ibar_meam[a], this->gsmooth_factor, &Gbar,
		&errorflag);
		G_gam(gam, this->ibar_meam[a], &Gbar, &errorflag);
		}

		// The zeroth order density in the reference structure, with

src/USER-MEAMC/pair_meamc.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -89,7 +89,7 @@ PairMEAMC::~PairMEAMC()

		void PairMEAMC::compute(int eflag, int vflag)
		{
		int i,j,ii,n,inum_half,errorflag;
		int i,ii,n,inum_half,errorflag;
		int ilist_half,numneigh_half,**firstneigh_half;
		int numneigh_full,*firstneigh_full;

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