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insure compute pair/property local will use a copy of granular neigh list

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Steve Plimpton
2017-06-21 12:44:35 -06:00
parent 87c028ed02
commit 7dc380b113
4 changed files with 28 additions and 0 deletions
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src/compute_property_local.cpp
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@ -280,12 +280,16 @@ void ComputePropertyLocal::init()
}
// for NEIGH/PAIR need an occasional half neighbor list
// set size to same value as request made by force->pair
// this should enable it to always be a copy list (e.g. for granular pstyle)
if (kindflag == NEIGH || kindflag == PAIR) {
int irequest = neighbor->request(this,instance_me);
neighbor->requests[irequest]->pair = 0;
neighbor->requests[irequest]->compute = 1;
neighbor->requests[irequest]->occasional = 1;
NeighRequest *pairrequest = neighbor->find_request((void *) force->pair);
if (pairrequest) neighbor->requests[irequest]->size = pairrequest->size;
}
// do initial memory allocation so that memory_usage() is correct