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print warning when "compress yes" is ignored with delete_atoms

This commit is contained in:
Axel Kohlmeyer 2018-03-13 22:58:39 -04:00
parent 25c46593ee
commit 6965307250
1 changed files with 8 additions and 5 deletions
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13
src/delete_atoms.cpp
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@ -109,11 +109,14 @@ void DeleteAtoms::command(int narg, char **arg)
// reset atom tags to be contiguous
// set all atom IDs to 0, call tag_extend()
if (atom->molecular == 0 && compress_flag) {
tagint *tag = atom->tag;
int nlocal = atom->nlocal;
for (int i = 0; i < nlocal; i++) tag[i] = 0;
atom->tag_extend();
if (compress_flag) {
if (atom->molecular == 0) {
tagint *tag = atom->tag;
int nlocal = atom->nlocal;
for (int i = 0; i < nlocal; i++) tag[i] = 0;
atom->tag_extend();
} else if (comm->me == 0)
error->warning(FLERR,"Ignoring 'compress yes' for molecular system");
}
// reset atom->natoms and also topology counts