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add support for discard yes/no of out-of-bin atoms

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Steve Plimpton
2022-08-30 12:49:09 -06:00
parent 6b093cb80a
commit ac2cf8c4ed
5 changed files with 74 additions and 29 deletions
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8
src/grid2d.cpp
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@ -129,13 +129,13 @@ Grid2d::Grid2d(LAMMPS *lmp, MPI_Comm gcomm,
int *periodicity = domain->periodicity;
if (!periodicity[0]) {
oxlo = MAX(1,oxlo);
oxhi = MIN(gnx-1,oxhi);
oxlo = MAX(0,oxlo);
oxhi = MIN(nx-1,oxhi);
}
if (!periodicity[1]) {
oylo = MAX(1,oylo);
oyhi = MIN(gnx-1,oyhi);
oylo = MAX(0,oylo);
oyhi = MIN(ny-1,oyhi);
}
// error check on size of grid stored by this proc