From 00fcb53e0152b08537cddc5266aa0abe50f50175 Mon Sep 17 00:00:00 2001
From: dyzheng <zhengdy@dp.tech>
Date: Fri, 12 Apr 2024 22:40:33 +0800
Subject: [PATCH] Fix: memory record for wrapper data (#3962)

Co-authored-by: dyzheng <zhengdy@bjaisi.com>
---
 source/module_hamilt_lcao/module_hcontainer/hcontainer.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/source/module_hamilt_lcao/module_hcontainer/hcontainer.cpp b/source/module_hamilt_lcao/module_hcontainer/hcontainer.cpp
index 4cde27154d..4d31335585 100644
--- a/source/module_hamilt_lcao/module_hcontainer/hcontainer.cpp
+++ b/source/module_hamilt_lcao/module_hcontainer/hcontainer.cpp
@@ -598,6 +598,10 @@ size_t HContainer<T>::get_memory_size() const
     }
     memory += this->tmp_atom_pairs.capacity() * sizeof(AtomPair<T>*);
     memory += this->tmp_R_index.capacity() * sizeof(int);
+    if(this->allocated)
+    {
+        memory += this->get_nnr() * sizeof(T);
+    }
     return memory;
 }