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This commit is contained in:
Axel Kohlmeyer
2018-03-16 12:28:13 -04:00
parent fc3de22c17
commit ee862d8bf5
243 changed files with 13704 additions and 13704 deletions
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26
src/neighbor.cpp
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@ -1455,7 +1455,7 @@ void Neighbor::print_pairwise_info()
nlist,nperpetual,noccasional,nextra);
for (i = 0; i < nlist; i++) {
rq = requests[i];
rq = requests[i];
if (rq->pair) {
char *pname = force->pair_match_ptr((Pair *) rq->requestor);
sprintf(str," (%d) pair %s",i+1,pname);
@ -1491,12 +1491,12 @@ void Neighbor::print_pairwise_info()
if (rq->half) fprintf(out,"half");
else if (rq->full) fprintf(out,"full");
if (rq->newton == 0) {
if (force->newton_pair) fprintf(out,", newton on");
else fprintf(out,", newton off");
} else if (rq->newton == 1) fprintf(out,", newton on");
else if (rq->newton == 2) fprintf(out,", newton off");
if (rq->newton == 0) {
if (force->newton_pair) fprintf(out,", newton on");
else fprintf(out,", newton off");
} else if (rq->newton == 1) fprintf(out,", newton on");
else if (rq->newton == 2) fprintf(out,", newton off");
if (rq->ghost) fprintf(out,", ghost");
if (rq->size) fprintf(out,", size");
if (rq->history) fprintf(out,", history");
@ -2303,7 +2303,7 @@ void Neighbor::modify_params(int narg, char **arg)
iarg += 4;
} else if (strcmp(arg[iarg+1],"molecule/inter") == 0 ||
strcmp(arg[iarg+1],"molecule/intra") == 0) {
strcmp(arg[iarg+1],"molecule/intra") == 0) {
if (iarg+3 > narg) error->all(FLERR,"Illegal neigh_modify command");
if (atom->molecule_flag == 0)
error->all(FLERR,"Neigh_modify exclude molecule "
@ -2319,13 +2319,13 @@ void Neighbor::modify_params(int narg, char **arg)
ex_mol_group[nex_mol] = group->find(arg[iarg+2]);
if (ex_mol_group[nex_mol] == -1)
error->all(FLERR,"Invalid group ID in neigh_modify command");
if (strcmp(arg[iarg+1],"molecule/intra") == 0)
ex_mol_intra[nex_mol] = 1;
else
ex_mol_intra[nex_mol] = 0;
if (strcmp(arg[iarg+1],"molecule/intra") == 0)
ex_mol_intra[nex_mol] = 1;
else
ex_mol_intra[nex_mol] = 0;
nex_mol++;
iarg += 3;
} else if (strcmp(arg[iarg+1],"none") == 0) {
nex_type = nex_group = nex_mol = 0;
iarg += 2;