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must destroy before allocate to avoid leaking

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This commit is contained in:
Axel Kohlmeyer
2024-08-02 17:41:39 -04:00
parent d3919be102
commit b41b2c9bfc
2 changed files with 2 additions and 0 deletions
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1
src/QEQ/fix_qeq_point.cpp
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@ -54,6 +54,7 @@ void FixQEqPoint::init()
neighbor->add_request(this, NeighConst::REQ_FULL); neighbor->add_request(this, NeighConst::REQ_FULL);
int ntypes = atom->ntypes; int ntypes = atom->ntypes;
memory->destroy(shld);
memory->create(shld, ntypes + 1, ntypes + 1, "qeq:shielding"); memory->create(shld, ntypes + 1, ntypes + 1, "qeq:shielding");
} }

1
src/QEQ/fix_qeq_shielded.cpp
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@ -56,6 +56,7 @@ void FixQEqShielded::init()
neighbor->add_request(this, NeighConst::REQ_FULL); neighbor->add_request(this, NeighConst::REQ_FULL);
const int ntypes = atom->ntypes; const int ntypes = atom->ntypes;
memory->destroy(shld);
memory->create(shld, ntypes + 1, ntypes + 1, "qeq:shielding"); memory->create(shld, ntypes + 1, ntypes + 1, "qeq:shielding");
init_shielding(); init_shielding();