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@5485 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2011-01-05 16:33:24 +00:00
parent 29eaf00e77
commit 73cdc24a5f
1 changed files with 4 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
src/delete_bonds.cpp
View File

@ -341,14 +341,16 @@ void DeleteBonds::command(int narg, char **arg)
if (atom->avec->bonds_allow) { if (atom->avec->bonds_allow) {
bigint nbonds = 0; bigint nbonds = 0;
for (i = 0; i < nlocal; i++) nbonds += atom->num_bond[i]; for (i = 0; i < nlocal; i++) nbonds += atom->num_bond[i];
MPI_Allreduce(&nbonds,&atom->nbonds,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world); MPI_Allreduce(&nbonds,&atom->nbonds,1,MPI_UNSIGNED_LONG_LONG,
MPI_SUM,world);
if (force->newton_bond == 0) atom->nbonds /= 2; if (force->newton_bond == 0) atom->nbonds /= 2;
} }
if (atom->avec->angles_allow) { if (atom->avec->angles_allow) {
bigint nangles = 0; bigint nangles = 0;
for (i = 0; i < nlocal; i++) nangles += atom->num_angle[i]; for (i = 0; i < nlocal; i++) nangles += atom->num_angle[i];
MPI_Allreduce(&nangles,&atom->nangles,1,MPI_UNSIGNED_LONG_LONG,MPI_SUM,world); MPI_Allreduce(&nangles,&atom->nangles,1,MPI_UNSIGNED_LONG_LONG,
MPI_SUM,world);
if (force->newton_bond == 0) atom->nangles /= 3; if (force->newton_bond == 0) atom->nangles /= 3;
} }