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

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12157 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2014-06-27 23:28:02 +00:00
parent a2dfb8421e
commit 7872ffe797
3 changed files with 109 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

5
src/delete_atoms.cpp
View File

@ -403,6 +403,7 @@ void DeleteAtoms::delete_porosity(int narg, char **arg)
/* ----------------------------------------------------------------------
delete atoms in molecules with any deletions
use dlist marked with atom deletions, and mark additional atoms
do not include molID = 0
------------------------------------------------------------------------- */
void DeleteAtoms::delete_molecule()
@ -414,9 +415,11 @@ void DeleteAtoms::delete_molecule()
tagint *molecule = atom->molecule;
int nlocal = atom->nlocal;
for (int i = 0; i < nlocal; i++)
for (int i = 0; i < nlocal; i++) {
if (molecule[i] == 0) continue;
if (dlist[i] && hash->find(molecule[i]) == hash->end())
(*hash)[molecule[i]] = 1;
}
// list = set of unique molecule IDs from which I deleted atoms
// pass list to all other procs via comm->ring()