ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

print warning when "compress yes" is ignored with delete_atoms

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

5
src/delete_atoms.cpp
View File

@ -109,11 +109,14 @@ void DeleteAtoms::command(int narg, char **arg)
// reset atom tags to be contiguous // reset atom tags to be contiguous
// set all atom IDs to 0, call tag_extend() // set all atom IDs to 0, call tag_extend()
if (atom->molecular == 0 && compress_flag) { if (compress_flag) {
if (atom->molecular == 0) {
tagint *tag = atom->tag; tagint *tag = atom->tag;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
for (int i = 0; i < nlocal; i++) tag[i] = 0; for (int i = 0; i < nlocal; i++) tag[i] = 0;
atom->tag_extend(); atom->tag_extend();
} else if (comm->me == 0)
error->warning(FLERR,"Ignoring 'compress yes' for molecular system");
} }
// reset atom->natoms and also topology counts // reset atom->natoms and also topology counts