From 90edb2f85a1b141322f22f10bcbeacd6cd0663ff Mon Sep 17 00:00:00 2001
From: cjknight <cjknight2009@gmail.com>
Date: Tue, 6 Aug 2024 11:56:37 -0500
Subject: [PATCH] remove global nao_pair

---
 gpu/src/device.h        | 1 -
 gpu/src/device_cuda.cpp | 4 +++-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/gpu/src/device.h b/gpu/src/device.h
index ad586813..437ed9be 100644
--- a/gpu/src/device.h
+++ b/gpu/src/device.h
@@ -115,7 +115,6 @@ public :
 
   int blksize;
   int nset;
-  int nao_pair;
 
   int size_fdrv;
   int size_buf_vj;
diff --git a/gpu/src/device_cuda.cpp b/gpu/src/device_cuda.cpp
index 41a63478..7b97375b 100644
--- a/gpu/src/device_cuda.cpp
+++ b/gpu/src/device_cuda.cpp
@@ -380,7 +380,7 @@ void Device::init_get_jk(py::array_t<double> _eri1, py::array_t<double> _dmtril,
   blksize = _blksize;
   nset = _nset;
 
-  nao_pair = nao * (nao+1) / 2;
+  int nao_pair = nao * (nao+1) / 2;
   
   int _size_vj = nset * nao_pair;
   if(_size_vj > dd->size_vj) {
@@ -508,6 +508,8 @@ void Device::pull_get_jk(py::array_t<double> _vj, py::array_t<double> _vk, int n
   
   double * vj = static_cast<double*>(info_vj.ptr);
 
+  int nao_pair = nao * (nao+1) / 2;
+  
   int size = nset * nao_pair * sizeof(double);
 
   double * tmp;