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

bug fixes from Doug Spearot

Browse Source
This commit is contained in:
Steve Plimpton
2021-11-30 08:22:38 -07:00
parent 4d19895a88
commit 4a05628938
2 changed files with 20 additions and 19 deletions
Download Patch File Download Diff File Expand all files Collapse all files

11
src/delete_atoms.cpp
View File

@ -431,7 +431,7 @@ void DeleteAtoms::delete_porosity(int narg, char **arg)
if (strcmp(arg[2],"NULL") == 0) regionflag = 0;
else {
regionflag = 1;
int iregion = domain->find_region(arg[2]);
iregion = domain->find_region(arg[2]);
if (iregion == -1) error->all(FLERR,"Could not find delete_atoms region ID");
domain->regions[iregion]->prematch();
}
@ -448,17 +448,18 @@ void DeleteAtoms::delete_porosity(int narg, char **arg)
memory->create(dlist,nlocal,"delete_atoms:dlist");
for (int i = 0; i < nlocal; i++) dlist[i] = 0;
// delete fraction of atoms in both group and region
// delete fraction of atoms which are in both group and region
double **x = atom->x;
int *mask = atom->mask;
int groupbit = group->bitmask[igroup];
for (int i = 0; i < nlocal; i++) {
for (int i = 0; i < nlocal; i++) {
if (!(mask[i] & groupbit)) continue;
if (regionflag && domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2]))
if (random->uniform() <= porosity_fraction) dlist[i] = 1;
if (regionflag &&
!domain->regions[iregion]->match(x[i][0],x[i][1],x[i][2])) continue;
if (random->uniform() <= porosity_fraction) dlist[i] = 1;
}
delete random;