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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2013-06-28 19:00:58 +00:00
parent fcc992d386
commit aa33af4032
94 changed files with 638 additions and 590 deletions
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16
src/neighbor.cpp
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@ -1635,7 +1635,7 @@ void Neighbor::set(int narg, char **arg)
{
if (narg != 2) error->all(FLERR,"Illegal neighbor command");
skin = atof(arg[0]);
skin = force->numeric(FLERR,arg[0]);
if (skin < 0.0) error->all(FLERR,"Illegal neighbor command");
if (strcmp(arg[1],"nsq") == 0) style = NSQ;
@ -1654,12 +1654,12 @@ void Neighbor::modify_params(int narg, char **arg)
while (iarg < narg) {
if (strcmp(arg[iarg],"every") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
every = atoi(arg[iarg+1]);
every = force->inumeric(FLERR,arg[iarg+1]);
if (every <= 0) error->all(FLERR,"Illegal neigh_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"delay") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
delay = atoi(arg[iarg+1]);
delay = force->inumeric(FLERR,arg[iarg+1]);
if (delay < 0) error->all(FLERR,"Illegal neigh_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"check") == 0) {
@ -1676,15 +1676,15 @@ void Neighbor::modify_params(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"page") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
pgsize = atoi(arg[iarg+1]);
pgsize = force->inumeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"one") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
oneatom = atoi(arg[iarg+1]);
oneatom = force->inumeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"binsize") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
binsize_user = atof(arg[iarg+1]);
binsize_user = force->numeric(FLERR,arg[iarg+1]);
if (binsize_user <= 0.0) binsizeflag = 0;
else binsizeflag = 1;
iarg += 2;
@ -1716,8 +1716,8 @@ void Neighbor::modify_params(int narg, char **arg)
memory->grow(ex1_type,maxex_type,"neigh:ex1_type");
memory->grow(ex2_type,maxex_type,"neigh:ex2_type");
}
ex1_type[nex_type] = atoi(arg[iarg+2]);
ex2_type[nex_type] = atoi(arg[iarg+3]);
ex1_type[nex_type] = force->inumeric(FLERR,arg[iarg+2]);
ex2_type[nex_type] = force->inumeric(FLERR,arg[iarg+3]);
nex_type++;
iarg += 4;