From d4bcd3b7eb3560abe21dfd2b0fe564a5b3898ddc Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 6 Apr 2025 10:25:56 -0400
Subject: [PATCH] plug memory leak in SO3 descriptor for pair style mliap/kk

---
 src/KOKKOS/mliap_descriptor_so3_kokkos.cpp | 9 +++++++++
 src/KOKKOS/mliap_descriptor_so3_kokkos.h   | 1 +
 2 files changed, 10 insertions(+)

diff --git a/src/KOKKOS/mliap_descriptor_so3_kokkos.cpp b/src/KOKKOS/mliap_descriptor_so3_kokkos.cpp
index 9f18078ac6..815d2696a9 100644
--- a/src/KOKKOS/mliap_descriptor_so3_kokkos.cpp
+++ b/src/KOKKOS/mliap_descriptor_so3_kokkos.cpp
@@ -28,6 +28,7 @@
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
+
 template <class DeviceType>
 MLIAPDescriptorSO3Kokkos<DeviceType>::MLIAPDescriptorSO3Kokkos(LAMMPS *lmp, char *paramfilename)
  // TODO: why take self as param, shouldn't be needed
@@ -39,6 +40,14 @@ MLIAPDescriptorSO3Kokkos<DeviceType>::MLIAPDescriptorSO3Kokkos(LAMMPS *lmp, char
 
 /* ---------------------------------------------------------------------- */
 
+template <class DeviceType>
+MLIAPDescriptorSO3Kokkos<DeviceType>::~MLIAPDescriptorSO3Kokkos()
+{
+  delete so3ptr_kokkos;
+}
+
+/* ---------------------------------------------------------------------- */
+
 template <class DeviceType>
 void MLIAPDescriptorSO3Kokkos<DeviceType>::compute_descriptors(class MLIAPData *data_)
 {
diff --git a/src/KOKKOS/mliap_descriptor_so3_kokkos.h b/src/KOKKOS/mliap_descriptor_so3_kokkos.h
index 6676b60004..26b3462508 100644
--- a/src/KOKKOS/mliap_descriptor_so3_kokkos.h
+++ b/src/KOKKOS/mliap_descriptor_so3_kokkos.h
@@ -29,6 +29,7 @@ class MLIAPDescriptorSO3Kokkos :
     public MLIAPDescriptorKokkos<DeviceType> {
  public:
   MLIAPDescriptorSO3Kokkos(LAMMPS *, char *);
+  ~MLIAPDescriptorSO3Kokkos() override;
 
   void compute_descriptors(class MLIAPData *) override;
   void compute_forces(class MLIAPData *) override;