fix unit test bug

Author: haozhihan

source/module_lr/utils/lr_util.hpp

@@ -109,15 +109,15 @@ namespace LR_Util
         assert(psi_kfirst.get_nk() == 1);
         assert(nk_in * nbasis_in == psi_kfirst.get_nbasis());
 
-        std::vector<int> ngk_vector(nk_in, 0);
-        for (size_t i = 0; i < ngk_vector.size(); i++)
-        {
-            ngk_vector[i] = psi_kfirst.get_ngk_pointer()[i];
-        }
+        // std::vector<int> ngk_vector(nk_in, 0);
+        // for (size_t i = 0; i < ngk_vector.size(); i++)
+        // {
+        //     ngk_vector[i] = psi_kfirst.get_ngk_pointer()[i];
+        // }
 
         int ib_now = psi_kfirst.get_current_b();
         psi_kfirst.fix_b(0);    // for get_pointer() to get the head pointer
-        psi::Psi<T, Device> psi_bfirst(psi_kfirst.get_pointer(), nk_in, psi_kfirst.get_nbands(), nbasis_in, ngk_vector, false);
+        psi::Psi<T, Device> psi_bfirst(psi_kfirst.get_pointer(), nk_in, psi_kfirst.get_nbands(), nbasis_in, false);
         psi_kfirst.fix_b(ib_now);
         return psi_bfirst;
     }
@@ -129,14 +129,14 @@ namespace LR_Util
         int ib_now = psi_bfirst.get_current_b();
         int ik_now = psi_bfirst.get_current_k();
 
-        std::vector<int> ngk_vector(psi_bfirst.get_nk(), 0);
-        for (size_t i = 0; i < ngk_vector.size(); i++)
-        {
-            ngk_vector[i] = psi_bfirst.get_ngk_pointer()[i];
-        }
+        // std::vector<int> ngk_vector(psi_bfirst.get_nk(), 0);
+        // for (size_t i = 0; i < ngk_vector.size(); i++)
+        // {
+        //     ngk_vector[i] = psi_bfirst.get_ngk_pointer()[i];
+        // }
 
         psi_bfirst.fix_kb(0, 0);    // for get_pointer() to get the head pointer
-        psi::Psi<T, Device> psi_kfirst(psi_bfirst.get_pointer(), 1, psi_bfirst.get_nbands(), psi_bfirst.get_nk() * psi_bfirst.get_nbasis(), ngk_vector, true);
+        psi::Psi<T, Device> psi_kfirst(psi_bfirst.get_pointer(), 1, psi_bfirst.get_nbands(), psi_bfirst.get_nk() * psi_bfirst.get_nbasis(), true);
         psi_bfirst.fix_kb(ik_now, ib_now);
         return psi_kfirst;
     }