whitespace cleanup
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@ -47,9 +47,9 @@ enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; // several files
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/* ---------------------------------------------------------------------- */
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FixPour::FixPour(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg), radius_poly(NULL), frac_poly(NULL),
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idrigid(NULL), idshake(NULL), onemols(NULL), molfrac(NULL), coords(NULL),
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imageflags(NULL), fixrigid(NULL), fixshake(NULL), recvcounts(NULL),
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Fix(lmp, narg, arg), radius_poly(NULL), frac_poly(NULL),
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idrigid(NULL), idshake(NULL), onemols(NULL), molfrac(NULL), coords(NULL),
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imageflags(NULL), fixrigid(NULL), fixshake(NULL), recvcounts(NULL),
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displs(NULL), random(NULL), random2(NULL)
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{
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if (narg < 6) error->all(FLERR,"Illegal fix pour command");
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@ -545,7 +545,7 @@ void FixPour::pre_exchange()
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delx = coords[m][0] - xnear[i][0];
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dely = coords[m][1] - xnear[i][1];
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delz = coords[m][2] - xnear[i][2];
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domain->minimum_image(delx,dely,delz);
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domain->minimum_image(delx,dely,delz);
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rsq = delx*delx + dely*dely + delz*delz;
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radsum = coords[m][3] + xnear[i][3];
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if (rsq <= radsum*radsum) break;
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@ -650,10 +650,10 @@ void FixPour::pre_exchange()
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atom->radius[n] = radtmp;
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atom->rmass[n] = 4.0*MY_PI/3.0 * radtmp*radtmp*radtmp * denstmp;
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} else {
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onemols[imol]->quat_external = quat;
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atom->add_molecule_atom(onemols[imol],m,n,maxtag_all);
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}
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onemols[imol]->quat_external = quat;
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atom->add_molecule_atom(onemols[imol],m,n,maxtag_all);
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}
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modify->create_attribute(n);
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}
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}
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@ -1006,7 +1006,7 @@ void FixPour::options(int narg, char **arg)
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vxhi = force->numeric(FLERR,arg[iarg+2]);
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vylo = force->numeric(FLERR,arg[iarg+3]);
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vyhi = force->numeric(FLERR,arg[iarg+4]);
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if (vxlo > vxhi || vylo > vyhi)
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if (vxlo > vxhi || vylo > vyhi)
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error->all(FLERR,"Illegal fix pour command");
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vz = force->numeric(FLERR,arg[iarg+5]);
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iarg += 6;
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@ -44,7 +44,7 @@ enum{HOOKE,HOOKE_HISTORY,HERTZ_HISTORY,BONDED_HISTORY};
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/* ---------------------------------------------------------------------- */
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FixWallGranRegion::FixWallGranRegion(LAMMPS *lmp, int narg, char **arg) :
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FixWallGran(lmp, narg, arg), region(NULL), region_style(NULL), ncontact(NULL),
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FixWallGran(lmp, narg, arg), region(NULL), region_style(NULL), ncontact(NULL),
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walls(NULL), shearmany(NULL), c2r(NULL)
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{
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restart_global = 1;
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@ -57,13 +57,13 @@ FixWallGranRegion::FixWallGranRegion(LAMMPS *lmp, int narg, char **arg) :
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region_style = new char[strlen(region->style)+1];
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strcpy(region_style,region->style);
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nregion = region->nregion;
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tmax = domain->regions[iregion]->tmax;
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c2r = new int[tmax];
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// re-allocate atom-based arrays with nshear
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// do not register with Atom class, since parent class did that
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memory->destroy(shearone);
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shearone = NULL;
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@ -71,7 +71,7 @@ FixWallGranRegion::FixWallGranRegion(LAMMPS *lmp, int narg, char **arg) :
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walls = NULL;
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shearmany = NULL;
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grow_arrays(atom->nmax);
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// initialize shear history as if particle is not touching region
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if (history) {
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@ -117,7 +117,7 @@ void FixWallGranRegion::init()
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region->reset_vel();
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}
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if (motion_resetflag){
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if (motion_resetflag){
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char str[256];
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sprintf(str,"Region properties for region %s are inconsistent "
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"with restart file, resetting its motion",idregion);
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@ -180,15 +180,15 @@ void FixWallGranRegion::post_force(int vflag)
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if (regiondynamic) {
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region->prematch();
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region->set_velocity();
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region->set_velocity();
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}
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for (i = 0; i < nlocal; i++) {
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if (mask[i] & groupbit) {
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if (!region->match(x[i][0],x[i][1],x[i][2])) continue;
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nc = region->surface(x[i][0],x[i][1],x[i][2],radius[i]);
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if (nc > tmax)
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if (nc > tmax)
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error->one(FLERR,"Too many wall/gran/region contacts for one particle");
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// shear history maintenance
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@ -210,7 +210,7 @@ void FixWallGranRegion::post_force(int vflag)
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walls[i][0] = iwall;
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for (m = 0; m < sheardim; m++)
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shearmany[i][0][m] = 0.0;
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} else if (ncontact[i] > 1 || iwall != walls[i][0])
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} else if (ncontact[i] > 1 || iwall != walls[i][0])
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update_contacts(i,nc);
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} else update_contacts(i,nc);
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}
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@ -233,12 +233,12 @@ void FixWallGranRegion::post_force(int vflag)
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// meff = effective mass of sphere
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// if I is part of rigid body, use body mass
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meff = rmass[i];
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if (fix_rigid && mass_rigid[i] > 0.0) meff = mass_rigid[i];
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// invoke sphere/wall interaction
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if (pairstyle == HOOKE)
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hooke(rsq,dx,dy,dz,vwall,v[i],f[i],
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omega[i],torque[i],radius[i],meff);
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@ -453,11 +453,11 @@ void FixWallGranRegion::unpack_restart(int nlocal, int nth)
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double **extra = atom->extra;
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// skip to Nth set of extra values
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int m = 0;
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for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
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m++;
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int count = ncontact[nlocal] = (int) ubuf(extra[nlocal][m++]).i;
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for (int iwall = 0; iwall < count; iwall++) {
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walls[nlocal][iwall] = (int) ubuf(extra[nlocal][m++]).i;
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@ -506,5 +506,5 @@ void FixWallGranRegion::write_restart(FILE *fp)
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void FixWallGranRegion::restart(char *buf)
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{
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int n = 0;
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if (!region->restart(buf,n)) motion_resetflag = 1;
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if (!region->restart(buf,n)) motion_resetflag = 1;
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}
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