whitespace fixes
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@ -41,8 +41,8 @@ enum{COMPUTE,FIX};
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/* ---------------------------------------------------------------------- */
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DumpGrid::DumpGrid(LAMMPS *lmp, int narg, char **arg) :
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Dump(lmp, narg, arg), idregion(nullptr), earg(nullptr), vtype(nullptr),
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vformat(nullptr), columns(nullptr), columns_default(nullptr),
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Dump(lmp, narg, arg), idregion(nullptr), earg(nullptr), vtype(nullptr),
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vformat(nullptr), columns(nullptr), columns_default(nullptr),
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field2index(nullptr), field2grid(nullptr), field2data(nullptr),
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argindex(nullptr), id_compute(nullptr), compute(nullptr),
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id_fix(nullptr), fix(nullptr), pack_choice(nullptr)
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@ -155,7 +155,7 @@ DumpGrid::~DumpGrid()
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delete[] field2grid;
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delete[] field2data;
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delete[] argindex;
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delete[] idregion;
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for (int i = 0; i < ncompute; i++) delete[] id_compute[i];
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@ -255,13 +255,13 @@ void DumpGrid::init_style()
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for (i = 0; i < ncompute; i++) {
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compute[i] = modify->get_compute_by_id(id_compute[i]);
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if (!compute[i])
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if (!compute[i])
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error->all(FLERR,"Could not find dump grid compute ID {}",id_compute[i]);
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}
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for (i = 0; i < nfix; i++) {
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fix[i] = modify->get_fix_by_id(id_fix[i]);
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if (!fix[i])
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if (!fix[i])
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error->all(FLERR,"Could not find dump grid fix ID {}", id_fix[i]);
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}
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@ -271,9 +271,9 @@ void DumpGrid::init_style()
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Fix *ifix;
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Grid2d *grid2d;
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Grid3d *grid3d;
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int nxtmp,nytmp,nztmp;
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for (int i = 0; i < nfield; i++) {
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if (dimension == 2) {
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if (field2source[i] == COMPUTE) {
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@ -286,7 +286,7 @@ void DumpGrid::init_style()
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if (i == 0) grid2d->get_size(nxgrid,nygrid);
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else {
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grid2d->get_size(nxtmp,nytmp);
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if (nxtmp != nxgrid || nytmp != nygrid)
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if (nxtmp != nxgrid || nytmp != nygrid)
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error->all(FLERR,"Dump grid field grid sizes do not match");
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}
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@ -513,18 +513,18 @@ int DumpGrid::count()
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if (dimension == 2) {
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if (field2source[0] == COMPUTE)
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grid2d = (Grid2d *)
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grid2d = (Grid2d *)
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compute[field2index[0]]->get_grid_by_index(field2grid[0]);
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else if (field2source[0] == FIX)
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grid2d = (Grid2d *)
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grid2d = (Grid2d *)
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fix[field2index[0]]->get_grid_by_index(field2grid[0]);
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grid2d->get_bounds(nxlo_in,nxhi_in,nylo_in,nyhi_in);
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} else {
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if (field2source[0] == COMPUTE)
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grid3d = (Grid3d *)
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grid3d = (Grid3d *)
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compute[field2index[0]]->get_grid_by_index(field2grid[0]);
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else if (field2source[0] == FIX)
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grid3d = (Grid3d *)
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grid3d = (Grid3d *)
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fix[field2index[0]]->get_grid_by_index(field2grid[0]);
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grid3d->get_bounds(nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in);
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}
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@ -550,11 +550,11 @@ int DumpGrid::count()
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}
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// return count of grid points I own
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int ngrid;
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if (dimension == 2)
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if (dimension == 2)
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ngrid = (nxhi_in-nxlo_in+1) * (nyhi_in-nylo_in+1);
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else
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else
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ngrid = (nxhi_in-nxlo_in+1) * (nyhi_in-nylo_in+1) * (nzhi_in-nzlo_in+1);
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return ngrid;
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@ -674,43 +674,43 @@ int DumpGrid::parse_fields(int narg, char **arg)
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auto name = argi.get_name();
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Compute *icompute = nullptr;
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Fix *ifix = nullptr;
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switch (argi.get_type()) {
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case ArgInfo::UNKNOWN: {
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error->all(FLERR,"Invalid attribute in dump grid command");
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} break;
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// compute value = c_ID
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// if no trailing [], then arg is set to 0, else arg is int between []
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case ArgInfo::COMPUTE: {
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if (dimension == 2) pack_choice[iarg] = &DumpGrid::pack_grid2d;
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if (dimension == 2) pack_choice[iarg] = &DumpGrid::pack_grid2d;
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else pack_choice[iarg] = &DumpGrid::pack_grid3d;
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vtype[iarg] = Dump::DOUBLE;
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field2source[iarg] = COMPUTE;
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field2source[iarg] = COMPUTE;
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// split name = idcompute:gname:dname into 3 strings
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char *idcompute,*gname,*dname;
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utils::grid_parse(FLERR,name,idcompute,gname,dname,error);
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icompute = modify->get_compute_by_id(idcompute);
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if (!icompute)
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if (!icompute)
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error->all(FLERR,"Could not find dump grid compute ID: {}",idcompute);
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if (icompute->pergrid_flag == 0)
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error->all(FLERR,"Dump grid compute {} does not compute per-grid info",
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idcompute);
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int dim;
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int igrid = icompute->get_grid_by_name(gname,dim);
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if (igrid < 0)
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if (igrid < 0)
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error->all(FLERR,"Dump grid compute {} does not recognize grid name {}",
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idcompute,gname);
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int ncol;
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int idata = icompute->get_griddata_by_name(igrid,dname,ncol);
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if (idata < 0)
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if (idata < 0)
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error->all(FLERR,
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"Dump grid compute {} does not recognize data name {}",
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idcompute,dname);
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@ -718,18 +718,18 @@ int DumpGrid::parse_fields(int narg, char **arg)
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if (argi.get_dim() == 0 && ncol)
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error->all(FLERR,"Dump grid compute {} data {} is not per-grid vector",
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idcompute,dname);
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if (argi.get_dim() && ncol == 0)
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if (argi.get_dim() && ncol == 0)
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error->all(FLERR,"Dump grid compute {} data {} is not per-grid array",
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idcompute,dname);
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if (argi.get_dim() && argi.get_index1() > ncol)
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error->all(FLERR,
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"Dump grid compute {} array {} is accessed out-of-range",
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idcompute,dname);
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field2index[iarg] = add_compute(idcompute);
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field2grid[iarg] = igrid;
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field2data[iarg] = idata;
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field2grid[iarg] = igrid;
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field2data[iarg] = idata;
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delete [] idcompute;
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delete [] gname;
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@ -744,7 +744,7 @@ int DumpGrid::parse_fields(int narg, char **arg)
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if (dimension == 2) pack_choice[iarg] = &DumpGrid::pack_grid2d;
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else pack_choice[iarg] = &DumpGrid::pack_grid3d;
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vtype[iarg] = Dump::DOUBLE;
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field2source[iarg] = FIX;
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field2source[iarg] = FIX;
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// split name = idfix:gname:dname into 3 strings
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@ -761,29 +761,29 @@ int DumpGrid::parse_fields(int narg, char **arg)
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int dim;
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int igrid = ifix->get_grid_by_name(gname,dim);
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if (igrid < 0)
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if (igrid < 0)
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error->all(FLERR,"Dump grid fix {} does not recognize grid name {}",
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idfix,gname);
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int ncol;
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int idata = ifix->get_griddata_by_name(igrid,dname,ncol);
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if (idata < 0)
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if (idata < 0)
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error->all(FLERR,"Dump grid fix {} does not recognize data name {}",
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idfix,dname);
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if (argi.get_dim() == 0 && ncol)
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error->all(FLERR,"Dump grid fix {} data {} is not per-grid vector",
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idfix,dname);
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if (argi.get_dim() > 0 && ncol == 0)
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if (argi.get_dim() > 0 && ncol == 0)
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error->all(FLERR,"Dump grid fix {} data {} is not per-grid array",
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idfix,dname);
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if (argi.get_dim() > 0 && argi.get_index1() > ncol)
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error->all(FLERR,"Dump grid fix {} array {} is accessed out-of-range",
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idfix,dname);
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field2index[iarg] = add_fix(idfix);
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field2grid[iarg] = igrid;
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field2data[iarg] = idata;
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field2grid[iarg] = igrid;
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field2data[iarg] = idata;
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delete [] idfix;
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delete [] gname;
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@ -792,13 +792,13 @@ int DumpGrid::parse_fields(int narg, char **arg)
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} break;
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// no match
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default: {
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return iarg;
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} break;
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}
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}
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return narg;
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}
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@ -936,29 +936,29 @@ void DumpGrid::pack_grid2d(int n)
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if (index == 0) {
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double **vec2d;
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if (field2source[n] == COMPUTE)
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vec2d = (double **)
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vec2d = (double **)
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compute[field2index[n]]->get_griddata_by_index(field2data[n]);
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else if (field2source[n] == FIX)
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vec2d = (double **)
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vec2d = (double **)
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fix[field2index[n]]->get_griddata_by_index(field2data[n]);
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for (int iy = nylo_in; iy <= nyhi_in; iy++)
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for (int ix = nxlo_in; ix <= nxhi_in; ix++) {
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buf[n] = vec2d[iy][ix];
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n += size_one;
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buf[n] = vec2d[iy][ix];
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n += size_one;
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}
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} else {
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double ***array2d;
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if (field2source[n] == COMPUTE)
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array2d = (double ***)
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array2d = (double ***)
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compute[field2index[n]]->get_griddata_by_index(field2data[n]);
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else if (field2source[n] == FIX)
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array2d = (double ***)
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array2d = (double ***)
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fix[field2index[n]]->get_griddata_by_index(field2data[n]);
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index--;
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for (int iy = nylo_in; iy <= nyhi_in; iy++)
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for (int ix = nxlo_in; ix <= nxhi_in; ix++) {
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buf[n] = array2d[iy][ix][index];
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n += size_one;
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buf[n] = array2d[iy][ix][index];
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n += size_one;
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}
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}
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}
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@ -972,31 +972,31 @@ void DumpGrid::pack_grid3d(int n)
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if (index == 0) {
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double ***vec3d;
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if (field2source[n] == COMPUTE)
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vec3d = (double ***)
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vec3d = (double ***)
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compute[field2index[n]]->get_griddata_by_index(field2data[n]);
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else if (field2source[n] == FIX)
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vec3d = (double ***)
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vec3d = (double ***)
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fix[field2index[n]]->get_griddata_by_index(field2data[n]);
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for (int iz = nzlo_in; iz <= nzhi_in; iz++)
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for (int iy = nylo_in; iy <= nyhi_in; iy++)
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for (int ix = nxlo_in; ix <= nxhi_in; ix++) {
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buf[n] = vec3d[iz][iy][ix];
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n += size_one;
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}
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for (int ix = nxlo_in; ix <= nxhi_in; ix++) {
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buf[n] = vec3d[iz][iy][ix];
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n += size_one;
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}
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} else {
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double ****array3d;
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if (field2source[n] == COMPUTE)
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array3d = (double ****)
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array3d = (double ****)
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compute[field2index[n]]->get_griddata_by_index(field2data[n]);
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else if (field2source[n] == FIX)
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array3d = (double ****)
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array3d = (double ****)
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fix[field2index[n]]->get_griddata_by_index(field2data[n]);
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index--;
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for (int iz = nzlo_in; iz <= nzhi_in; iz++)
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for (int iy = nylo_in; iy <= nyhi_in; iy++)
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for (int ix = nxlo_in; ix <= nxhi_in; ix++) {
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buf[n] = array3d[iz][iy][ix][index];
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for (int ix = nxlo_in; ix <= nxhi_in; ix++) {
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buf[n] = array3d[iz][iy][ix][index];
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n += size_one;
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}
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}
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}
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}
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