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patch 13Dec16: neighbor refactor, Stan pppm/disp bug fix, M Brown INTEL package updates

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Steve Plimpton
2016-12-13 17:14:28 -07:00
parent 624c57e9da
commit f509f133af
14 changed files with 484 additions and 32 deletions
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11
src/neighbor.cpp
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@ -890,7 +890,8 @@ void Neighbor::init_pair()
for (i = 0; i < nstencil; i++) {
flag = 0;
for (j = 0; j < npair_perpetual; j++)
if (lists[plist[j]]->stencil_method == neigh_stencil[i]->istyle) flag = 1;
if (lists[plist[j]]->stencil_method == neigh_stencil[i]->istyle)
flag = 1;
if (flag) slist[nstencil_perpetual++] = i;
}
@ -1139,8 +1140,8 @@ void Neighbor::print_pairwise_info()
} else {
sprintf(str," (%d) command %s",i+1,requests[i]->command_style);
}
fprintf(out,"%s\n",str);
fprintf(out,"%s",str);
if (requests[i]->half) kind = "half";
else if (requests[i]->full) kind = "full";
else if (requests[i]->gran) kind = "size";
@ -1328,7 +1329,6 @@ int Neighbor::choose_stencil(NeighRequest *rq)
if (style == BIN && !(mask & NS_BIN)) continue;
if (style == MULTI && !(mask & NS_MULTI)) continue;
if (dimension == 2 && !(mask & NS_2D)) continue;
if (dimension == 3 && !(mask & NS_3D)) continue;
@ -1389,7 +1389,8 @@ int Neighbor::choose_pair(NeighRequest *rq)
// triclinic = orthgonal/triclinic box
int copyflag,skipflag,halfflag,fullflag,halffullflag,sizeflag,respaflag,
ghostflag,off2onflag,onesideflag,ssaflag,ompflag,intelflag,kokkos_device_flag,kokkos_host_flag;
ghostflag,off2onflag,onesideflag,ssaflag,ompflag,intelflag,
kokkos_device_flag,kokkos_host_flag;
copyflag = skipflag = halfflag = fullflag = halffullflag = sizeflag =
ghostflag = respaflag = off2onflag = onesideflag = ssaflag =