From ce1882cd4ee088e68d1d7c9512441b7e585adb3c Mon Sep 17 00:00:00 2001
From: Abdallah Ammar <abd.ammar.phys@gmail.com>
Date: Fri, 6 Dec 2024 15:57:35 +0100
Subject: [PATCH] mini modif

---
 PyDuck.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/PyDuck.py b/PyDuck.py
index 0c1655c..6318204 100644
--- a/PyDuck.py
+++ b/PyDuck.py
@@ -162,8 +162,7 @@ else:
         eri_mmap = np.memmap(output_file_path, dtype='float64', mode='w+', shape=eri_shape)
         mol.intor('int2e', out=eri_mmap)
         for i in range(norb):
-            transposed_chunk = eri_mmap[i, :, :, :].transpose(1, 0, 2)
-            eri_mmap[i, :, :, :] = transposed_chunk
+            eri_mmap[i, :, :, :] = eri_mmap[i, :, :, :].transpose(1, 0, 2)
         eri_mmap.flush()
         del eri_mmap
     else: