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Merge branch 'develop' of github.com:lammps/lammps into Elastic_stress

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Germain Clavier
2022-03-21 10:46:53 +01:00
parent 9742817ba3 649e8a27b3
commit 6f2c09c187
1191 changed files with 217736 additions and 400996 deletions
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9
src/pair_hybrid.cpp
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@ -614,13 +614,12 @@ void PairHybrid::init_style()
// create skip lists inside each pair neigh request
// any kind of list can have its skip flag set in this loop
for (i = 0; i < neighbor->nrequest; i++) {
if (!neighbor->requests[i]->pair) continue;
for (auto &request : neighbor->get_pair_requests()) {
// istyle = associated sub-style for the request
for (istyle = 0; istyle < nstyles; istyle++)
if (styles[istyle] == neighbor->requests[i]->requestor) break;
if (styles[istyle] == request->get_requestor()) break;
// allocate iskip and ijskip
// initialize so as to skip all pair types
@ -667,9 +666,7 @@ void PairHybrid::init_style()
if (ijskip[itype][jtype] == 1) skip = 1;
if (skip) {
neighbor->requests[i]->skip = 1;
neighbor->requests[i]->iskip = iskip;
neighbor->requests[i]->ijskip = ijskip;
request->set_skip(iskip, ijskip);
} else {
delete[] iskip;
memory->destroy(ijskip);