Commit 38a998c0 authored by Daniel Schwen's avatar Daniel Schwen
Browse files

Fix misc. warnings (#1076)

parent 92a4dc25

src/BODY/body_rounded_polyhedron.cpp

+3 −3
Original line number Diff line number Diff line
@@ -96,7 +96,7 @@ int BodyRoundedPolyhedron::nedges(AtomVecBody::Bonus *bonus) 
{

  int nvertices = bonus->ivalue[0];

  int nedges = bonus->ivalue[1];

  int nfaces = bonus->ivalue[2];

  //int nfaces = bonus->ivalue[2];

  if (nvertices == 1) return 0;

  else if (nvertices == 2) return 1;

  return nedges; //(nvertices+nfaces-2); // Euler's polyon formula: V-E+F=2
@@ -463,7 +463,7 @@ void BodyRoundedPolyhedron::output(int ibonus, int m, double *values) 
int BodyRoundedPolyhedron::image(int ibonus, double flag1, double /*flag2*/,

                              int *&ivec, double **&darray)

{

  int j, nelements;

  int nelements;

  double p[3][3];

  double *x, rrad;
@@ -488,7 +488,7 @@ int BodyRoundedPolyhedron::image(int ibonus, double flag1, double /*flag2*/, 


    nelements = nvertices;

  } else {

    int nfaces = bonus->ivalue[2];

    //int nfaces = bonus->ivalue[2];

    int nedges = bonus->ivalue[1]; //nvertices + nfaces - 2;

    if (nvertices == 2) nedges = 1; // special case: rods

    double* edge_ends = &bonus->dvalue[3*nvertices];

src/BODY/fix_wall_body_polygon.cpp

+6 −10
Original line number Diff line number Diff line
@@ -310,9 +310,6 @@ void FixWallBodyPolygon::post_force(int /*vflag*/) 
      rsq = dx*dx + dy*dy + dz*dz;

      if (rsq > radius[i]*radius[i]) continue;



      double r = sqrt(rsq);

      double rsqinv = 1.0 / rsq;



      if (dnum[i] == 0) body2space(i);

      npi = dnum[i];

      ifirst = dfirst[i];
@@ -478,9 +475,8 @@ int FixWallBodyPolygon::vertex_against_wall(int i, double wall_pos, 
                Contact* contact_list, int &num_contacts, double* /*facc*/)

{

  int ni, npi, ifirst, interact;

  double xpi[3], xpj[3], dist, eradi, rradi;

  double fx, fy, fz, rx, ry, rz;

  int nlocal = atom->nlocal;

  double xpi[3], eradi, rradi;

  double fx, fy, fz;



  npi = dnum[i];

  ifirst = dfirst[i];
@@ -499,9 +495,9 @@ int FixWallBodyPolygon::vertex_against_wall(int i, double wall_pos, 
    xpi[1] = x[i][1] + discrete[ifirst+ni][1];

    xpi[2] = x[i][2] + discrete[ifirst+ni][2];



    int mode, contact, p2vertex;

    double d, R, hi[3], t, delx, dely, delz, fpair, shift;

    double xj[3], rij;

    int mode, contact;

    double d, R, hi[3], delx, dely, delz, fpair;

    double rij;



    // compute the distance from the vertex xpi to the wall
@@ -671,7 +667,7 @@ void FixWallBodyPolygon::contact_forces(Contact& contact, double j_a, 
                      double** x, double** v, double** angmom, double** f,

                      double** torque, double* vwall, double* facc)

{

  int ibody,ibonus,ifirst, jefirst, ni;

  int ibody,ibonus,ifirst, ni;

  double fx,fy,fz,delx,dely,delz,rsq,rsqinv;

  double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;

  double fn[3],ft[3],vi[3];

src/BODY/fix_wall_body_polyhedron.cpp

+5 −10
Original line number Diff line number Diff line
@@ -213,7 +213,7 @@ void FixWallBodyPolyhedron::setup(int vflag) 


void FixWallBodyPolyhedron::post_force(int /*vflag*/)

{

  double vwall[3],dx,dy,dz,del1,del2,delxy,delr,rsq,eradi,rradi,wall_pos;

  double vwall[3],dx,dy,dz,del1,del2,rsq,eradi,rradi,wall_pos;

  int i,ni,npi,ifirst,nei,iefirst,nfi,iffirst,side;

  double facc[3];
@@ -325,9 +325,6 @@ void FixWallBodyPolyhedron::post_force(int /*vflag*/) 
      rsq = dx*dx + dy*dy + dz*dz;

      if (rsq > radius[i]*radius[i]) continue;



      double r = sqrt(rsq);

      double rsqinv = 1.0 / rsq;



      if (dnum[i] == 0) body2space(i);

      npi = dnum[i];

      ifirst = dfirst[i];
@@ -359,8 +356,7 @@ void FixWallBodyPolyhedron::post_force(int /*vflag*/) 
        edge[iefirst+ni][5] = 0;

      }



      int interact, num_contacts, done;

      double delta_a, delta_ua, j_a;

      int interact, num_contacts;

      Contact contact_list[MAX_CONTACTS];



      num_contacts = 0;
@@ -550,7 +546,6 @@ int FixWallBodyPolyhedron::edge_against_wall(int i, double wall_pos, 
{

  int ni, nei, mode, contact;

  double rradi;

  int nlocal = atom->nlocal;



  nei = ednum[i];

  rradi = rounded_radius[i];
@@ -702,10 +697,10 @@ void FixWallBodyPolyhedron::contact_forces(int ibody, 
  double fx, double fy, double fz, double** x, double** v, double** angmom,

  double** f, double** torque, double* vwall)

{

  int ibonus,jbonus;

  int ibonus;

  double fxt,fyt,fzt,rsq,rsqinv;

  double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;

  double fn[3],ft[3],vi[3],vj[3];

  double fn[3],ft[3],vi[3];

  double *quat, *inertia;

  AtomVecBody::Bonus *bonus;
@@ -787,7 +782,7 @@ void FixWallBodyPolyhedron::contact_forces(Contact& contact, double j_a, 
                      double** x, double** v, double** angmom, double** f,

                      double** torque, double* vwall, double* facc)

{

  int ibody,ibonus,ifirst, jefirst, ni;

  int ibody,ibonus,ifirst,ni;

  double fx,fy,fz,delx,dely,delz,rsq,rsqinv;

  double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;

  double fn[3],ft[3],vi[3];

src/BODY/pair_body_rounded_polygon.cpp

+5 −6
Original line number Diff line number Diff line
@@ -105,10 +105,9 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag) 
  int i,j,ii,jj,inum,jnum,itype,jtype;

  int ni,nj,npi,npj,ifirst,jfirst;

  int nei,nej,iefirst,jefirst;

  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fx,fy,fz;

  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl;

  double rsq,rsqinv,r,radi,radj,eradi,eradj,rradi,rradj,k_nij,k_naij;

  double xi[3],xj[3],fi[3],fj[3],ti[3],tj[3],facc[3];

  double *dxi,*dxj;

  double xi[3],xj[3],facc[3];

  int *ilist,*jlist,*numneigh,**firstneigh;



  evdwl = 0.0;
@@ -709,9 +708,8 @@ int PairBodyRoundedPolygon::vertex_against_edge(int i, int j, 
  int ni, npi, ifirst, nei, iefirst;

  int nj, npj, jfirst, nej, jefirst;

  double xpi[3], xpj[3], dist, eradi, eradj, rradi, rradj;

  double fx, fy, fz, rx, ry, rz, energy;

  double fx, fy, fz, energy;

  int interact;

  int nlocal = atom->nlocal;



  npi = dnum[i];

  ifirst = dfirst[i];
@@ -758,7 +756,7 @@ int PairBodyRoundedPolygon::vertex_against_edge(int i, int j, 


    int mode, contact, p2vertex;

    double d, R, hi[3], t, delx, dely, delz, fpair, shift;

    double xj[3], rij;

    double rij;



    // loop through body j's edges
@@ -781,6 +779,7 @@ int PairBodyRoundedPolygon::vertex_against_edge(int i, int j, 
        if (mode == VERTEXI) p2vertex = edge[jefirst+nj][0];

        else if (mode == VERTEXJ) p2vertex = edge[jefirst+nj][1];



        // double xj[3];

        // p2.body2space(p2vertex, xj);

        xpj[0] = x[j][0] + discrete[jfirst+p2vertex][0];

        xpj[1] = x[j][1] + discrete[jfirst+p2vertex][1];

src/BODY/pair_body_rounded_polyhedron.cpp

+10 −9
Original line number Diff line number Diff line
@@ -603,7 +603,7 @@ void PairBodyRoundedPolyhedron::sphere_against_sphere(int ibody, int jbody, 
{

  double rradi,rradj,contact_dist;

  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,fn[3],ft[3],fpair,energy;

  int nlocal = atom->nlocal;

  int newton_pair = force->newton_pair;
@@ -685,7 +685,7 @@ void PairBodyRoundedPolyhedron::sphere_against_edge(int ibody, int jbody, 
{

  int ni,nei,ifirst,iefirst,npi1,npi2,ibonus;

  double xi1[3],xi2[3],vti[3],h[3],fn[3],ft[3],d,t;

  double delx,dely,delz,rsq,rij,rsqinv,R,fx,fy,fz,fpair,shift,energy;

  double delx,dely,delz,rsq,rij,rsqinv,R,fx,fy,fz,fpair,energy;

  double rradi,rradj,contact_dist;

  double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;

  double *quat, *inertia;
@@ -835,7 +835,7 @@ void PairBodyRoundedPolyhedron::sphere_against_face(int ibody, int jbody, 
{

  int ni,nfi,inside,ifirst,iffirst,npi1,npi2,npi3,ibonus,tmp;

  double xi1[3],xi2[3],xi3[3],ui[3],vi[3],vti[3],n[3],h[3],fn[3],ft[3],d;

  double delx,dely,delz,rsq,rij,rsqinv,R,fx,fy,fz,fpair,shift,energy;

  double delx,dely,delz,rsq,rij,rsqinv,R,fx,fy,fz,fpair,energy;

  double rradi,rradj,contact_dist;

  double vr1,vr2,vr3,vnnr,vn1,vn2,vn3,vt1,vt2,vt3;

  double *quat, *inertia;
@@ -988,7 +988,7 @@ int PairBodyRoundedPolyhedron::edge_against_edge(int ibody, int jbody, 
  int itype, int jtype, double** x, Contact* contact_list, int &num_contacts,

  double &evdwl, double* facc)

{

  int ni,nei,nj,nej,contact,interact;

  int ni,nei,nj,nej,interact;

  double rradi,rradj,energy;



  nei = ednum[ibody];
@@ -1045,7 +1045,7 @@ int PairBodyRoundedPolyhedron::edge_against_face(int ibody, int jbody, 
  int itype, int jtype, double** x, Contact* contact_list, int &num_contacts,

  double &evdwl, double* facc)

{

  int ni,nei,nj,nfj,contact,interact;

  int ni,nei,nj,nfj,interact;

  double rradi,rradj,energy;



  nei = ednum[ibody];
@@ -1118,7 +1118,7 @@ int PairBodyRoundedPolyhedron::interaction_edge_to_edge(int ibody, 
  int ifirst,iefirst,jfirst,jefirst,npi1,npi2,npj1,npj2,interact;

  double xi1[3],xi2[3],xpj1[3],xpj2[3];

  double r,t1,t2,h1[3],h2[3];

  double contact_dist, shift;

  double contact_dist;



  double** x = atom->x;

  double** v = atom->v;
@@ -1314,7 +1314,7 @@ int PairBodyRoundedPolyhedron::interaction_face_to_edge(int ibody, 


  // determine the intersection of the edge to the face



  double hi1[3], hi2[3], d1, d2, contact_dist, shift;

  double hi1[3], hi2[3], d1, d2, contact_dist;

  int inside1 = 0;

  int inside2 = 0;
@@ -2345,9 +2345,8 @@ 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,u[3],v[3],n[3];

  double x1[3],x2[3],x3[3],x4[3],h_a[3],h_b[3],d_a,d_b;

  double a[3],b[3],t_a,t_b;

  int inside_a, inside_b;



  x1[0] = 0; x1[1] = 3; x1[2] = 0;

  x2[0] = 3; x2[1] = 0; x2[2] = 0;
@@ -2364,9 +2363,11 @@ void PairBodyRoundedPolyhedron::sanity_check() 
    h_a[0], h_a[1], h_a[2], h_b[0], h_b[1], h_b[2], t_a, t_b, d_a, d_b);

*/

/*

  int inside_a, inside_b;

  int mode = edge_face_intersect(x1, x2, x3, a, b, h_a, h_b, d_a, d_b,

                                 inside_a, inside_b);



  double u[3],v[3],n[3];

  MathExtra::sub3(x2, x1, u);

  MathExtra::sub3(x3, x1, v);

  MathExtra::cross3(u, v, n);

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