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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12023 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-05-23 18:37:20 +00:00
parent 49c0f92b04
commit d3d9748dee
4 changed files with 42 additions and 5 deletions
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32
src/compute_cluster_atom.cpp
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@ -27,6 +27,8 @@
#include "memory.h"
#include "error.h"
#include "group.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
@ -118,6 +120,13 @@ void ComputeClusterAtom::compute_peratom()
numneigh = list->numneigh;
firstneigh = list->firstneigh;
// if group is dynamic, insure ghost atom masks are current
if (group->dynamic[igroup]) {
commflag = 0;
comm->forward_comm_compute(this);
}
// every atom starts in its own cluster, with clusterID = atomID
tagint *tag = atom->tag;
@ -136,6 +145,7 @@ void ComputeClusterAtom::compute_peratom()
// iterate until no changes in my atoms
// then check if any proc made changes
commflag = 1;
double **x = atom->x;
int change,done,anychange;
@ -191,10 +201,19 @@ int ComputeClusterAtom::pack_comm(int n, int *list, double *buf,
int i,j,m;
m = 0;
for (i = 0; i < n; i++) {
j = list[i];
buf[m++] = clusterID[j];
if (commflag) {
for (i = 0; i < n; i++) {
j = list[i];
buf[m++] = clusterID[j];
}
} else {
int *mask = atom->mask;
for (i = 0; i < n; i++) {
j = list[i];
buf[m++] = ubuf(mask[j]).d;
}
}
return 1;
}
@ -206,7 +225,12 @@ void ComputeClusterAtom::unpack_comm(int n, int first, double *buf)
m = 0;
last = first + n;
for (i = first; i < last; i++) clusterID[i] = buf[m++];
if (commflag)
for (i = first; i < last; i++) clusterID[i] = buf[m++];
else {
int *mask = atom->mask;
for (i = first; i < last; i++) mask[i] = (int) ubuf(buf[m++]).i;
}
}
/* ----------------------------------------------------------------------