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Explicitly defining default ncollections

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This commit is contained in:
Joel Clemmer
2021-05-12 08:17:14 -06:00
parent 6b45f9052f
commit 7f94712839
2 changed files with 5 additions and 2 deletions
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1
src/comm.cpp
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@ -303,6 +303,7 @@ void Comm::modify_params(int narg, char **arg)
if (mode == Comm::MULTIOLD) cutghostuser = 0.0;
memory->destroy(cutusermultiold);
mode = Comm::MULTI;
ncollections_cutoff = 0;
} else if (strcmp(arg[iarg+1],"multi/old") == 0) {
if (neighbor->style == Neighbor::MULTI)
error->all(FLERR,"Cannot use comm mode 'multi/old' with 'multi' style neighbor lists");

6
src/neighbor.cpp
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@ -2349,8 +2349,10 @@ void Neighbor::set(int narg, char **arg)
if (strcmp(arg[1],"nsq") == 0) style = Neighbor::NSQ;
else if (strcmp(arg[1],"bin") == 0) style = Neighbor::BIN;
else if (strcmp(arg[1],"multi") == 0) style = Neighbor::MULTI;
else if (strcmp(arg[1],"multi/old") == 0) style = Neighbor::MULTI_OLD;
else if (strcmp(arg[1],"multi") == 0) {
style = Neighbor::MULTI;
ncollections = atom->ntypes;
} else if (strcmp(arg[1],"multi/old") == 0) style = Neighbor::MULTI_OLD;
else error->all(FLERR,"Illegal neighbor command");
if (style == Neighbor::MULTI_OLD && lmp->citeme) lmp->citeme->add(cite_neigh_multi_old);