remove global nao_pair

cjknight · Aug 6, 2024 · 90edb2f · 90edb2f
1 parent 2b91767
commit 90edb2f
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Showing 2 changed files with 3 additions and 2 deletions.
diff --git 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
@@ -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;