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more work on grid classes

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This commit is contained in:
Steve Plimpton
2022-07-25 13:56:28 -06:00
parent 4a7daaa5d1
commit dff206f297
10 changed files with 924 additions and 237 deletions
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14
src/dump_grid.cpp
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@ -274,7 +274,7 @@ void DumpGrid::init_style()
int nx,ny,nz,nxtmp,nytmp,nztmp;
for (int i = 1; i < nfield; i++) {
for (int i = 0; i < nfield; i++) {
if (dimension == 2) {
if (field2source[i] == COMPUTE) {
icompute = compute[field2index[i]];
@ -283,9 +283,9 @@ void DumpGrid::init_style()
ifix = fix[field2index[i]];
grid2d = (Grid2d *) ifix->get_grid_by_index(field2grid[i]);
}
if (i == 0) grid2d->query_global_size(nx,ny);
if (i == 0) grid2d->query_size(nx,ny);
else {
grid2d->query_global_size(nxtmp,nytmp);
grid2d->query_size(nxtmp,nytmp);
if (nxtmp != nx || nytmp != ny)
error->all(FLERR,"Dump grid field grid sizes do not match");
}
@ -298,9 +298,9 @@ void DumpGrid::init_style()
ifix = fix[field2index[i]];
grid3d = (Grid3d *) ifix->get_grid_by_index(field2grid[i]);
}
if (i == 0) grid3d->query_global_size(nx,ny,nz);
if (i == 0) grid3d->query_size(nx,ny,nz);
else {
grid3d->query_global_size(nxtmp,nytmp,nztmp);
grid3d->query_size(nxtmp,nytmp,nztmp);
if (nxtmp != nx || nytmp != ny || nztmp != nz)
error->all(FLERR,"Dump grid field grid sizes do not match");
}
@ -535,7 +535,7 @@ int DumpGrid::count()
else if (field2source[0] == FIX)
grid2d = (Grid2d *)
fix[field2index[0]]->get_grid_by_index(field2grid[0]);
grid2d->query_in_bounds(nxlo_in,nxhi_in,nylo_in,nyhi_in);
grid2d->query_bounds(nxlo_in,nxhi_in,nylo_in,nyhi_in);
} else {
if (field2source[0] == COMPUTE)
grid3d = (Grid3d *)
@ -543,7 +543,7 @@ int DumpGrid::count()
else if (field2source[0] == FIX)
grid3d = (Grid3d *)
fix[field2index[0]]->get_grid_by_index(field2grid[0]);
grid3d->query_in_bounds(nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in);
grid3d->query_bounds(nxlo_in,nxhi_in,nylo_in,nyhi_in,nzlo_in,nzhi_in);
}
// invoke Computes for per-grid quantities