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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10230 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-07-08 20:10:50 +00:00
parent 0b8e46c7e3
commit 60d49a7aad
29 changed files with 934 additions and 1528 deletions
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11
src/neighbor.cpp
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@ -456,9 +456,9 @@ void Neighbor::init()
// pass list ptr back to requestor (except for Command class)
for (i = 0; i < nlist; i++) {
lists[i] = new NeighList(lmp,pgsize,oneatom);
lists[i] = new NeighList(lmp);
lists[i]->setup_pages(pgsize,oneatom,requests[i]->dnum);
lists[i]->index = i;
lists[i]->dnum = requests[i]->dnum;
if (requests[i]->pair) {
Pair *pair = (Pair *) requests[i]->requestor;
@ -620,14 +620,11 @@ void Neighbor::init()
for (i = 0; i < nlist; i++) lists[i]->print_attributes();
#endif
// allocate atom arrays and 1st pages of lists that store them
// allocate atom arrays for neighbor lists that store them
maxatom = atom->nmax;
for (i = 0; i < nlist; i++)
if (lists[i]->growflag) {
lists[i]->grow(maxatom);
lists[i]->add_pages();
}
if (lists[i]->growflag) lists[i]->grow(maxatom);
// setup 3 vectors of pairwise neighbor lists
// blist = lists whose pair_build() is invoked every reneighbor