From b41b2c9bfcb58dabdc30e219a84cd17721513dba Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 2 Aug 2024 17:41:39 -0400 Subject: [PATCH] must destroy before allocate to avoid leaking --- src/QEQ/fix_qeq_point.cpp | 1 + src/QEQ/fix_qeq_shielded.cpp | 1 + 2 files changed, 2 insertions(+) diff --git a/src/QEQ/fix_qeq_point.cpp b/src/QEQ/fix_qeq_point.cpp index 3eb150559c..9ad580544e 100644 --- a/src/QEQ/fix_qeq_point.cpp +++ b/src/QEQ/fix_qeq_point.cpp @@ -54,6 +54,7 @@ void FixQEqPoint::init() neighbor->add_request(this, NeighConst::REQ_FULL); int ntypes = atom->ntypes; + memory->destroy(shld); memory->create(shld, ntypes + 1, ntypes + 1, "qeq:shielding"); } diff --git a/src/QEQ/fix_qeq_shielded.cpp b/src/QEQ/fix_qeq_shielded.cpp index 2e653b9226..b4827d8694 100644 --- a/src/QEQ/fix_qeq_shielded.cpp +++ b/src/QEQ/fix_qeq_shielded.cpp @@ -56,6 +56,7 @@ void FixQEqShielded::init() neighbor->add_request(this, NeighConst::REQ_FULL); const int ntypes = atom->ntypes; + memory->destroy(shld); memory->create(shld, ntypes + 1, ntypes + 1, "qeq:shielding"); init_shielding();