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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8960 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-10-12 23:53:08 +00:00
parent 0ac2b54e58
commit 8b2448329b
3 changed files with 125 additions and 1 deletions
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10
src/neighbor.cpp
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@ -68,6 +68,7 @@ Neighbor::Neighbor(LAMMPS *lmp) : Pointers(lmp)
oneatom = 2000;
binsizeflag = 0;
build_once = 0;
cluster_check = 0;
cutneighsq = NULL;
cutneighghostsq = NULL;
@ -1672,6 +1673,13 @@ void Neighbor::modify_params(int narg, char **arg)
if (binsize_user <= 0.0) binsizeflag = 0;
else binsizeflag = 1;
iarg += 2;
} else if (strcmp(arg[iarg],"cluster") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
if (strcmp(arg[iarg+1],"yes") == 0) cluster_check = 1;
else if (strcmp(arg[iarg+1],"no") == 0) cluster_check = 0;
else error->all(FLERR,"Illegal neigh_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"include") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
includegroup = group->find(arg[iarg+1]);
@ -1682,6 +1690,7 @@ void Neighbor::modify_params(int narg, char **arg)
error->all(FLERR,
"Neigh_modify include group != atom_modify first group");
iarg += 2;
} else if (strcmp(arg[iarg],"exclude") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
@ -1729,6 +1738,7 @@ void Neighbor::modify_params(int narg, char **arg)
} else if (strcmp(arg[iarg+1],"none") == 0) {
nex_type = nex_group = nex_mol = 0;
iarg += 2;
} else error->all(FLERR,"Illegal neigh_modify command");
} else error->all(FLERR,"Illegal neigh_modify command");