Merge branch 'distributed-grids' of github.com:lammps/lammps into distributed-grids

This commit is contained in:
Axel Kohlmeyer
2022-12-14 18:15:59 -05:00

View File

@ -126,7 +126,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
gridflag = NO;
lineflag = triflag = bodyflag = fixflag = NO;
id_grid_compute = id_grid_fix = nullptr;
if (atom->nbondtypes == 0) bondflag = NO;
else {
bondflag = YES;
@ -440,6 +440,9 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
// local data
grid_compute = nullptr;
grid_fix = nullptr;
maxbufcopy = 0;
chooseghost = nullptr;
bufcopy = nullptr;
@ -1383,6 +1386,7 @@ void DumpImage::grid_cell_corners_2d(int ix, int iy)
for (int x = 0; x < 2; x++) {
gcorners[n][0] = boxlo[0] + (ix+x) * xdelta;
gcorners[n][1] = boxlo[1] + (iy+y) * ydelta;
gcorners[n][2] = 0.0;
n++;
}
@ -1398,7 +1402,8 @@ void DumpImage::grid_cell_corners_2d(int ix, int iy)
for (int x = 0; x < 2; x++) {
lamda[0] = (ix+x) * dx;
lamda[1] = (iy+y) * dy;
domain->lamda2x(lamda,gcorners[n++]);
domain->lamda2x(lamda,gcorners[n]);
n++;
}
}
}
@ -1439,7 +1444,8 @@ void DumpImage::grid_cell_corners_3d(int ix, int iy, int iz)
lamda[0] = (ix+x) * dx;
lamda[1] = (iy+y) * dy;
lamda[2] = (iz+z) * dz;
domain->lamda2x(lamda,gcorners[n++]);
domain->lamda2x(lamda,gcorners[n]);
n++;
}
}
}