forked from lijiext/lammps
remove dead code
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bf537dedf5
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95c515420a
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@ -105,7 +105,7 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
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int ni,nj,npi,npj,ifirst,jfirst;
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int ni,nj,npi,npj,ifirst,jfirst;
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int nei,nej,iefirst,jefirst;
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int nei,nej,iefirst,jefirst;
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double xtmp,ytmp,ztmp,delx,dely,delz,evdwl;
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double xtmp,ytmp,ztmp,delx,dely,delz,evdwl;
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double rsq,rsqinv,r,radi,radj,eradi,eradj,rradi,rradj,k_nij,k_naij;
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double rsq,r,radi,radj,k_nij,k_naij;
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double facc[3];
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double facc[3];
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int *ilist,*jlist,*numneigh,**firstneigh;
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int *ilist,*jlist,*numneigh,**firstneigh;
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@ -170,8 +170,6 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
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ifirst = dfirst[i];
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ifirst = dfirst[i];
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nei = ednum[i];
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nei = ednum[i];
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iefirst = edfirst[i];
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iefirst = edfirst[i];
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eradi = enclosing_radius[i];
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rradi = rounded_radius[i];
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}
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}
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for (jj = 0; jj < jnum; jj++) {
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for (jj = 0; jj < jnum; jj++) {
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@ -197,8 +195,6 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
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jfirst = dfirst[j];
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jfirst = dfirst[j];
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nej = ednum[j];
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nej = ednum[j];
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jefirst = edfirst[j];
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jefirst = edfirst[j];
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eradj = enclosing_radius[j];
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rradj = rounded_radius[j];
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k_nij = k_n[itype][jtype];
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k_nij = k_n[itype][jtype];
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k_naij = k_na[itype][jtype];
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k_naij = k_na[itype][jtype];
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@ -207,7 +203,6 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
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r = sqrt(rsq);
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r = sqrt(rsq);
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if (r > radi + radj + cut_inner) continue;
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if (r > radi + radj + cut_inner) continue;
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rsqinv = 1.0 / rsq;
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if (npi == 1 && npj == 1) {
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if (npi == 1 && npj == 1) {
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sphere_against_sphere(i, j, delx, dely, delz, rsq,
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sphere_against_sphere(i, j, delx, dely, delz, rsq,
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@ -598,16 +593,13 @@ void PairBodyRoundedPolygon::sphere_against_sphere(int i, int j,
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double k_n, double k_na, double** /*x*/, double** v,
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double k_n, double k_na, double** /*x*/, double** v,
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double** f, int evflag)
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double** f, int evflag)
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{
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{
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double eradi,eradj,rradi,rradj;
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double rradi,rradj;
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double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;
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double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;
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double rij,rsqinv,R,fx,fy,fz,fn[3],ft[3],fpair,shift,energy;
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double rij,rsqinv,R,fx,fy,fz,fpair,shift,energy;
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int nlocal = atom->nlocal;
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int nlocal = atom->nlocal;
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int newton_pair = force->newton_pair;
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int newton_pair = force->newton_pair;
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eradi = enclosing_radius[i];
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rradi = rounded_radius[i];
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rradi = rounded_radius[i];
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eradj = enclosing_radius[j];
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rradj = rounded_radius[j];
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rradj = rounded_radius[j];
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rsqinv = 1.0/rsq;
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rsqinv = 1.0/rsq;
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@ -649,19 +641,6 @@ void PairBodyRoundedPolygon::sphere_against_sphere(int i, int j,
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vt1 = vr1 - vn1;
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vt1 = vr1 - vn1;
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vt2 = vr2 - vn2;
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vt2 = vr2 - vn2;
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vt3 = vr3 - vn3;
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vt3 = vr3 - vn3;
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// normal friction term at contact
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fn[0] = -c_n * vn1;
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fn[1] = -c_n * vn2;
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fn[2] = -c_n * vn3;
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// tangential friction term at contact
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// excluding the tangential deformation term
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ft[0] = -c_t * vt1;
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ft[1] = -c_t * vt2;
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ft[2] = -c_t * vt3;
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}
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}
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f[i][0] += fx;
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f[i][0] += fx;
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@ -703,20 +682,16 @@ int PairBodyRoundedPolygon::vertex_against_edge(int i, int j,
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int &num_contacts,
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int &num_contacts,
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double &evdwl, double* facc)
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double &evdwl, double* facc)
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{
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{
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int ni, npi, ifirst, nei, iefirst;
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int ni, npi, ifirst;
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int nj, npj, jfirst, nej, jefirst;
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int nj, jfirst, nej, jefirst;
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double xpi[3], xpj[3], dist, eradi, eradj, rradi, rradj;
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double xpi[3], xpj[3], dist, eradj, rradi, rradj;
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double fx, fy, fz, energy;
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double fx, fy, fz, energy;
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int interact;
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int interact;
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npi = dnum[i];
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npi = dnum[i];
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ifirst = dfirst[i];
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ifirst = dfirst[i];
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nei = ednum[i];
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iefirst = edfirst[i];
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eradi = enclosing_radius[i];
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rradi = rounded_radius[i];
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rradi = rounded_radius[i];
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npj = dnum[j];
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jfirst = dfirst[j];
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jfirst = dfirst[j];
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nej = ednum[j];
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nej = ednum[j];
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jefirst = edfirst[j];
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jefirst = edfirst[j];
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@ -271,7 +271,7 @@ void PairBodyRoundedPolyhedron::compute(int eflag, int vflag)
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continue;
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continue;
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}
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}
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int interact, num_contacts;
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int num_contacts;
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Contact contact_list[MAX_CONTACTS];
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Contact contact_list[MAX_CONTACTS];
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num_contacts = 0;
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num_contacts = 0;
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@ -280,22 +280,22 @@ void PairBodyRoundedPolyhedron::compute(int eflag, int vflag)
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#ifdef _POLYHEDRON_DEBUG
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#ifdef _POLYHEDRON_DEBUG
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printf("INTERACTION between edges of %d vs. faces of %d:\n", i, j);
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printf("INTERACTION between edges of %d vs. faces of %d:\n", i, j);
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#endif
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#endif
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interact = edge_against_face(i, j, itype, jtype, x, contact_list,
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edge_against_face(i, j, itype, jtype, x, contact_list,
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num_contacts, evdwl, facc);
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num_contacts, evdwl, facc);
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// check interaction between j's edges and i' faces
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// check interaction between j's edges and i' faces
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#ifdef _POLYHEDRON_DEBUG
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#ifdef _POLYHEDRON_DEBUG
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printf("\nINTERACTION between edges of %d vs. faces of %d:\n", j, i);
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printf("\nINTERACTION between edges of %d vs. faces of %d:\n", j, i);
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#endif
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#endif
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interact = edge_against_face(j, i, jtype, itype, x, contact_list,
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edge_against_face(j, i, jtype, itype, x, contact_list,
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num_contacts, evdwl, facc);
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num_contacts, evdwl, facc);
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// check interaction between i's edges and j' edges
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// check interaction between i's edges and j' edges
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#ifdef _POLYHEDRON_DEBUG
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#ifdef _POLYHEDRON_DEBUG
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printf("INTERACTION between edges of %d vs. edges of %d:\n", i, j);
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printf("INTERACTION between edges of %d vs. edges of %d:\n", i, j);
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#endif
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#endif
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interact = edge_against_edge(i, j, itype, jtype, x, contact_list,
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edge_against_edge(i, j, itype, jtype, x, contact_list,
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num_contacts, evdwl, facc);
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num_contacts, evdwl, facc);
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// estimate the contact area
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// estimate the contact area
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// also consider point contacts and line contacts
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// also consider point contacts and line contacts
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@ -2341,13 +2341,11 @@ void PairBodyRoundedPolyhedron::find_unique_contacts(Contact* contact_list,
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void PairBodyRoundedPolyhedron::sanity_check()
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void PairBodyRoundedPolyhedron::sanity_check()
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{
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{
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double x1[3],x2[3],x3[3],x4[3],h_a[3],h_b[3],d_a,d_b;
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double x1[3],x2[3],h_a[3],h_b[3],d_a,d_b;
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double a[3],b[3],t_a,t_b;
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double a[3],b[3],t_a,t_b;
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x1[0] = 0; x1[1] = 3; x1[2] = 0;
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x1[0] = 0; x1[1] = 3; x1[2] = 0;
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x2[0] = 3; x2[1] = 0; x2[2] = 0;
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x2[0] = 3; x2[1] = 0; x2[2] = 0;
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x3[0] = 4; x3[1] = 3; x3[2] = 0;
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x4[0] = 5; x4[1] = 3; x4[2] = 0;
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a[0] = 0; a[1] = 0; a[2] = 0;
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a[0] = 0; a[1] = 0; a[2] = 0;
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b[0] = 4; b[1] = 0; b[2] = 0;
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b[0] = 4; b[1] = 0; b[2] = 0;
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@ -549,7 +549,7 @@ void PairKolmogorovCrespiFull::calc_FRep(int eflag, int /* vflag */)
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int i,j,ii,jj,inum,jnum,itype,jtype,k,kk;
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int i,j,ii,jj,inum,jnum,itype,jtype,k,kk;
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double prodnorm1,fkcx,fkcy,fkcz;
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double prodnorm1,fkcx,fkcy,fkcz;
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double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair,fpair1;
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double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair,fpair1;
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double rsq,r,rhosq1,exp0,exp1,r2inv,Tap,dTap,Vkc;
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double rsq,r,rhosq1,exp0,exp1,Tap,dTap,Vkc;
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double frho_ij,sumC1,sumC11,sumCff,fsum,rho_ij;
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double frho_ij,sumC1,sumC11,sumCff,fsum,rho_ij;
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int *ilist,*jlist,*numneigh,**firstneigh;
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int *ilist,*jlist,*numneigh,**firstneigh;
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int *KC_neighs_i;
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int *KC_neighs_i;
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@ -606,7 +606,6 @@ void PairKolmogorovCrespiFull::calc_FRep(int eflag, int /* vflag */)
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Param& p = params[iparam_ij];
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Param& p = params[iparam_ij];
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r = sqrt(rsq);
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r = sqrt(rsq);
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r2inv = 1.0/rsq;
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// turn on/off taper function
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// turn on/off taper function
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if (tap_flag) {
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if (tap_flag) {
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