Loading src/compute_pair_local.cpp +4 −0 Original line number Diff line number Diff line Loading @@ -126,11 +126,15 @@ void ComputePairLocal::init() " requested by compute pair/local"); // 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) 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; } /* ---------------------------------------------------------------------- */ Loading src/compute_property_local.cpp +4 −0 Original line number Diff line number Diff line Loading @@ -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 Loading src/neighbor.cpp +19 −0 Original line number Diff line number Diff line Loading @@ -1268,6 +1268,10 @@ void Neighbor::morph_copy() if (irq->ghost && !jrq->ghost) continue; // do not copy from a history list if (jrq->history) continue; // these flags must be same, // else 2 lists do not store same pairs // or their data structures are different Loading Loading @@ -1619,6 +1623,21 @@ void Neighbor::requests_new2old() old_oneatom = oneatom; } /* ---------------------------------------------------------------------- find and return request made by classptr if not found or classpt = NULL, return NULL ------------------------------------------------------------------------- */ NeighRequest *Neighbor::find_request(void *classptr) { if (classptr == NULL) return NULL; for (int i = 0; i < nrequest; i++) if (requests[i]->requestor == classptr) return requests[i]; return NULL; } /* ---------------------------------------------------------------------- assign NBin class to a NeighList use neigh request settings to build mask Loading src/neighbor.h +1 −0 Original line number Diff line number Diff line Loading @@ -122,6 +122,7 @@ class Neighbor : protected Pointers { void exclusion_group_group_delete(int, int); // rm a group-group exclusion int exclude_setting(); // return exclude value to accelerator pkg class NeighRequest *find_request(void *); // find a neighbor request bigint memory_usage(); Loading Loading
src/compute_pair_local.cpp +4 −0 Original line number Diff line number Diff line Loading @@ -126,11 +126,15 @@ void ComputePairLocal::init() " requested by compute pair/local"); // 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) 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; } /* ---------------------------------------------------------------------- */ Loading
src/compute_property_local.cpp +4 −0 Original line number Diff line number Diff line Loading @@ -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 Loading
src/neighbor.cpp +19 −0 Original line number Diff line number Diff line Loading @@ -1268,6 +1268,10 @@ void Neighbor::morph_copy() if (irq->ghost && !jrq->ghost) continue; // do not copy from a history list if (jrq->history) continue; // these flags must be same, // else 2 lists do not store same pairs // or their data structures are different Loading Loading @@ -1619,6 +1623,21 @@ void Neighbor::requests_new2old() old_oneatom = oneatom; } /* ---------------------------------------------------------------------- find and return request made by classptr if not found or classpt = NULL, return NULL ------------------------------------------------------------------------- */ NeighRequest *Neighbor::find_request(void *classptr) { if (classptr == NULL) return NULL; for (int i = 0; i < nrequest; i++) if (requests[i]->requestor == classptr) return requests[i]; return NULL; } /* ---------------------------------------------------------------------- assign NBin class to a NeighList use neigh request settings to build mask Loading
src/neighbor.h +1 −0 Original line number Diff line number Diff line Loading @@ -122,6 +122,7 @@ class Neighbor : protected Pointers { void exclusion_group_group_delete(int, int); // rm a group-group exclusion int exclude_setting(); // return exclude value to accelerator pkg class NeighRequest *find_request(void *); // find a neighbor request bigint memory_usage(); Loading
