remove dead code (95c51542) · Commits · 郑智淋 / lammps

src/BODY/pair_body_rounded_polygon.cpp

+6 −31

Original line number	Diff line number	Diff line
		@@ -105,7 +105,7 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
		int ni,nj,npi,npj,ifirst,jfirst;
		int nei,nej,iefirst,jefirst;
		double xtmp,ytmp,ztmp,delx,dely,delz,evdwl;
		double rsq,rsqinv,r,radi,radj,eradi,eradj,rradi,rradj,k_nij,k_naij;
		double rsq,r,radi,radj,k_nij,k_naij;
		double facc[3];
		int ilist,jlist,numneigh,*firstneigh;

		@@ -170,8 +170,6 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
		ifirst = dfirst[i];
		nei = ednum[i];
		iefirst = edfirst[i];
		eradi = enclosing_radius[i];
		rradi = rounded_radius[i];
		}

		for (jj = 0; jj < jnum; jj++) {
		@@ -197,8 +195,6 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
		jfirst = dfirst[j];
		nej = ednum[j];
		jefirst = edfirst[j];
		eradj = enclosing_radius[j];
		rradj = rounded_radius[j];

		k_nij = k_n[itype][jtype];
		k_naij = k_na[itype][jtype];
		@@ -207,7 +203,6 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)

		r = sqrt(rsq);
		if (r > radi + radj + cut_inner) continue;
		rsqinv = 1.0 / rsq;

		if (npi == 1 && npj == 1) {
		sphere_against_sphere(i, j, delx, dely, delz, rsq,
		@@ -598,16 +593,13 @@ void PairBodyRoundedPolygon::sphere_against_sphere(int i, int j,
		double k_n, double k_na, double** /x/, double** v,
		double** f, int evflag)
		{
		double eradi,eradj,rradi,rradj;
		double rradi,rradj;
		double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;
		double rij,rsqinv,R,fx,fy,fz,fn[3],ft[3],fpair,shift,energy;
		double rij,rsqinv,R,fx,fy,fz,fpair,shift,energy;
		int nlocal = atom->nlocal;
		int newton_pair = force->newton_pair;

		eradi = enclosing_radius[i];
		rradi = rounded_radius[i];

		eradj = enclosing_radius[j];
		rradj = rounded_radius[j];

		rsqinv = 1.0/rsq;
		@@ -649,19 +641,6 @@ void PairBodyRoundedPolygon::sphere_against_sphere(int i, int j,
		vt1 = vr1 - vn1;
		vt2 = vr2 - vn2;
		vt3 = vr3 - vn3;

		// normal friction term at contact

		fn[0] = -c_n * vn1;
		fn[1] = -c_n * vn2;
		fn[2] = -c_n * vn3;

		// tangential friction term at contact
		// excluding the tangential deformation term

		ft[0] = -c_t * vt1;
		ft[1] = -c_t * vt2;
		ft[2] = -c_t * vt3;
		}

		f[i][0] += fx;
		@@ -703,20 +682,16 @@ int PairBodyRoundedPolygon::vertex_against_edge(int i, int j,
		int &num_contacts,
		double &evdwl, double* facc)
		{
		int ni, npi, ifirst, nei, iefirst;
		int nj, npj, jfirst, nej, jefirst;
		double xpi[3], xpj[3], dist, eradi, eradj, rradi, rradj;
		int ni, npi, ifirst;
		int nj, jfirst, nej, jefirst;
		double xpi[3], xpj[3], dist, eradj, rradi, rradj;
		double fx, fy, fz, energy;
		int interact;

		npi = dnum[i];
		ifirst = dfirst[i];
		nei = ednum[i];
		iefirst = edfirst[i];
		eradi = enclosing_radius[i];
		rradi = rounded_radius[i];

		npj = dnum[j];
		jfirst = dfirst[j];
		nej = ednum[j];
		jefirst = edfirst[j];

src/BODY/pair_body_rounded_polyhedron.cpp

+8 −10

Original line number	Diff line number	Diff line
		@@ -271,7 +271,7 @@ void PairBodyRoundedPolyhedron::compute(int eflag, int vflag)
		continue;
		}

		int interact, num_contacts;
		int num_contacts;
		Contact contact_list[MAX_CONTACTS];

		num_contacts = 0;
		@@ -280,21 +280,21 @@ void PairBodyRoundedPolyhedron::compute(int eflag, int vflag)
		#ifdef _POLYHEDRON_DEBUG
		printf("INTERACTION between edges of %d vs. faces of %d:\n", i, j);
		#endif
		interact = edge_against_face(i, j, itype, jtype, x, contact_list,
		edge_against_face(i, j, itype, jtype, x, contact_list,
		num_contacts, evdwl, facc);

		// check interaction between j's edges and i' faces
		#ifdef _POLYHEDRON_DEBUG
		printf("\nINTERACTION between edges of %d vs. faces of %d:\n", j, i);
		#endif
		interact = edge_against_face(j, i, jtype, itype, x, contact_list,
		edge_against_face(j, i, jtype, itype, x, contact_list,
		num_contacts, evdwl, facc);

		// check interaction between i's edges and j' edges
		#ifdef _POLYHEDRON_DEBUG
		printf("INTERACTION between edges of %d vs. edges of %d:\n", i, j);
		#endif
		interact = edge_against_edge(i, j, itype, jtype, x, contact_list,
		edge_against_edge(i, j, itype, jtype, x, contact_list,
		num_contacts, evdwl, facc);

		// estimate the contact area
		@@ -2341,13 +2341,11 @@ void PairBodyRoundedPolyhedron::find_unique_contacts(Contact* contact_list,
		void PairBodyRoundedPolyhedron::sanity_check()
		{

		double x1[3],x2[3],x3[3],x4[3],h_a[3],h_b[3],d_a,d_b;
		double x1[3],x2[3],h_a[3],h_b[3],d_a,d_b;
		double a[3],b[3],t_a,t_b;

		x1[0] = 0; x1[1] = 3; x1[2] = 0;
		x2[0] = 3; x2[1] = 0; x2[2] = 0;
		x3[0] = 4; x3[1] = 3; x3[2] = 0;
		x4[0] = 5; x4[1] = 3; x4[2] = 0;

		a[0] = 0; a[1] = 0; a[2] = 0;
		b[0] = 4; b[1] = 0; b[2] = 0;

src/USER-MISC/pair_kolmogorov_crespi_full.cpp

+1 −2

Original line number	Diff line number	Diff line
		@@ -549,7 +549,7 @@ void PairKolmogorovCrespiFull::calc_FRep(int eflag, int /* vflag */)
		int i,j,ii,jj,inum,jnum,itype,jtype,k,kk;
		double prodnorm1,fkcx,fkcy,fkcz;
		double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair,fpair1;
		double rsq,r,rhosq1,exp0,exp1,r2inv,Tap,dTap,Vkc;
		double rsq,r,rhosq1,exp0,exp1,Tap,dTap,Vkc;
		double frho_ij,sumC1,sumC11,sumCff,fsum,rho_ij;
		int ilist,jlist,numneigh,*firstneigh;
		int *KC_neighs_i;
		@@ -606,7 +606,6 @@ void PairKolmogorovCrespiFull::calc_FRep(int eflag, int /* vflag */)
		Param& p = params[iparam_ij];

		r = sqrt(rsq);
		r2inv = 1.0/rsq;

		// turn on/off taper function
		if (tap_flag) {

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