diff --git a/src/USER-MISC/compute_pressure_cylinder.cpp b/src/USER-MISC/compute_pressure_cylinder.cpp index b35e851e4b..6fcd343e38 100644 --- a/src/USER-MISC/compute_pressure_cylinder.cpp +++ b/src/USER-MISC/compute_pressure_cylinder.cpp @@ -50,10 +50,10 @@ static const char cite_compute_pressure_cylinder[] = ComputePressureCyl::ComputePressureCyl(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg), - R(NULL), Rinv(NULL), R2(NULL), R2kin(NULL), invVbin(NULL), - density_temp(NULL), density_all(NULL), tangent(NULL), ephi_x(NULL), - ephi_y(NULL), Pr_temp(NULL), Pr_all(NULL), Pz_temp(NULL), Pz_all(NULL), - Pphi_temp(NULL), Pphi_all(NULL), PrAinv(NULL), PzAinv(NULL), binz(NULL) + Pr_temp(NULL), Pr_all(NULL), Pz_temp(NULL), Pz_all(NULL), Pphi_temp(NULL), + Pphi_all(NULL), R(NULL), Rinv(NULL), R2(NULL), PrAinv(NULL), PzAinv(NULL), + R2kin(NULL), density_temp(NULL), invVbin(NULL), density_all(NULL), + tangent(NULL), ephi_x(NULL), ephi_y(NULL), binz(NULL) { if (lmp->citeme) lmp->citeme->add(cite_compute_pressure_cylinder); if (narg != 7) error->all(FLERR,"Illegal compute pressure/cylinder command"); @@ -171,7 +171,7 @@ void ComputePressureCyl::init() invVbin[0]=1.0/((zhi-zlo)*MY_PI*R2kin[0]); PzAinv[0]=1.0/(MY_PI*R2kin[0]*((double)nzbins)); - + for (int jq = 1; jq < nbins; jq++) { invVbin[jq]=1.0/((zhi-zlo)*MY_PI*(R2kin[jq]-R2kin[jq-1])); PzAinv[jq]=1.0/(MY_PI*(R2kin[jq]-R2kin[jq-1])*((double)nzbins)); @@ -189,7 +189,7 @@ void ComputePressureCyl::init() /* ---------------------------------------------------------------------- */ -void ComputePressureCyl::init_list(int id, NeighList *ptr) +void ComputePressureCyl::init_list(int /* id */, NeighList *ptr) { list = ptr; } @@ -226,10 +226,10 @@ void ComputePressureCyl::compute_array() int me; MPI_Comm_rank(world,&me); - int i,j,n,ii,jj,inum,jnum,itype,jtype; + int i,j,ii,jj,inum,jnum,itype,jtype; tagint itag,jtag; double xtmp,ytmp,ztmp,delx,dely,delz; - double rsq,eng,fpair,factor_coul,factor_lj; + double rsq,fpair,factor_coul,factor_lj; int *ilist,*jlist,*numneigh,**firstneigh; double **x = atom->x; @@ -276,14 +276,12 @@ void ComputePressureCyl::compute_array() double r1=0.0; double r2=0.0; double risq,rjsq; - double ri,rj,rij,fij; - double A,B,C,Bsq,A2inv,A4,D; - double alpha1,alpha2,aij; + double A,B,C,D; + double alpha1,alpha2; double xi,yi,zi,dx,dy,dz; - double m,xR,yR,zR,fn; + double xR,yR,zR,fn; double alpha,xL,yL,zL,L2,ftphi,ftz; double sqrtD; - double lower_z,upper_z; for (ii = 0; ii < inum; ii++) { i = ilist[ii]; @@ -313,11 +311,9 @@ void ComputePressureCyl::compute_array() jtag = tag[j]; if (itag > jtag) { if ((itag+jtag) % 2 == 0) continue; - } - else if (itag < jtag) { + } else if (itag < jtag) { if ((itag+jtag) % 2 == 1) continue; - } - else { + } else { if (x[j][2] < ztmp) continue; if (x[j][2] == ztmp) { if (x[j][1] < ytmp) continue; @@ -342,8 +338,7 @@ void ComputePressureCyl::compute_array() dx=x[i][0]-x[j][0]; dy=x[i][1]-x[j][1]; dz=x[i][2]-x[j][2]; - } - else { + } else { risq=r1; rjsq=r2; xi=x[i][0]; @@ -358,7 +353,7 @@ void ComputePressureCyl::compute_array() jtype = type[j]; if (rsq >= cutsq[itype][jtype]) continue; - eng = pair->single(i,j,itype,jtype,rsq,factor_coul,factor_lj,fpair); + pair->single(i,j,itype,jtype,rsq,factor_coul,factor_lj,fpair); A=dx*dx+dy*dy; B=2.0*(xi*dx+yi*dy);