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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15390 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2016-07-28 18:09:57 +00:00
parent 87b6626358
commit cf2aa231f5
2 changed files with 13 additions and 2 deletions
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1
src/neigh_request.h
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@ -105,6 +105,7 @@ class NeighRequest : protected Pointers {
int skip; // 1 if this list skips atom types from another list
int *iskip; // iskip[i] if atoms of type I are not in list
int **ijskip; // ijskip[i][j] if pairs of type I,J are not in list
int off2on; // 1 if this is newton on list, but skips from off list
int otherlist; // index of other list to copy or skip from

14
src/pair_hybrid.cpp
View File

@ -684,9 +684,10 @@ void PairHybrid::modify_requests()
}
// adjustments to newly added granular parent requests (gran = 1)
// parent newton = 2 if has children with granonesided = 0 and 1
// set parent newton = 2 if has children with granonesided = 0 and 1
// else newton = 0 = setting of children
// parent gran onesided = 0 if has children with granonesided = 0 and 1
// if 2, also set child off2on for both granonesided kinds of children
// set parent gran onesided = 0 if has children with granonesided = 0 and 1
// else onesided = setting of children
for (i = nrequest_original; i < neighbor->nrequest; i++) {
@ -698,6 +699,7 @@ void PairHybrid::modify_requests()
for (j = 0; j < nrequest_original; j++) {
if (!neighbor->requests[j]->pair) continue;
if (!neighbor->requests[j]->gran) continue;
if (neighbor->requests[j]->otherlist != i) continue;
jrq = neighbor->requests[j];
if (onesided < 0) onesided = jrq->granonesided;
@ -708,6 +710,14 @@ void PairHybrid::modify_requests()
if (onesided == 2) {
irq->newton = 2;
irq->granonesided = 0;
for (j = 0; j < nrequest_original; j++) {
if (!neighbor->requests[j]->pair) continue;
if (!neighbor->requests[j]->gran) continue;
if (neighbor->requests[j]->otherlist != i) continue;
jrq = neighbor->requests[j];
jrq->off2on = 1;
}
}
}
}