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reduce compiler warnings and some more whitespace adjustments

This commit is contained in:
Axel Kohlmeyer 2018-10-02 15:18:06 -04:00
parent 590ab1661e
commit a549752764
1 changed files with 15 additions and 20 deletions
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35
src/USER-MISC/compute_pressure_cylinder.cpp
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@ -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);