refactor(source_cell): pass running-log stream to ReciprocalGrid::set_both_kvec

Same pattern as the previous K_Vectors commit: the only remaining
non-virtual ReciprocalGrid function that read GlobalV::ofs_running now
takes std::ofstream& ofs_running and writes through the parameter.

- Caller in K_Vectors::set() passes its existing 'ofs' argument;
  klist_test.cpp direct calls (6) pass GlobalV::ofs_running explicitly;
- QList never calls set_both_kvec, so its chain is untouched
- Left as-is (recorded): GlobalV::ofs_warning and the MY_RANK guards
  inside set_both_kvec, plus build_star_ops / reduce_by_symmetry /
  MY_RANK / MPI topology reads listed in the previous commit

GlobalV reads: reciprocal_grid.cpp 14 -> 13, klist.cpp 35 -> 23
(ofs_running share: 15 -> 0).

Verified: make -j 30 (0 errors); ctest MODULE_CELL_{klist,reciprocal_
grid,qlist}_test and klist_test_para1/para4 5/5 passed.

Author: abacus_fixer

source/source_cell/klist.cpp

@@ -145,7 +145,7 @@ void K_Vectors::set(const UnitCell& ucell,
     // Improve k point information
 
     // Complement the coordinates of k point
-    this->set_both_kvec(reciprocal_vec, latvec, skpt2);
+    this->set_both_kvec(reciprocal_vec, latvec, skpt2, ofs);
 
     if (GlobalV::MY_RANK == 0)
     {

source/source_cell/reciprocal_grid.cpp

@@ -167,7 +167,10 @@ void ReciprocalGrid::kvec_c2d(const ModuleBase::Matrix3& latvec)
     }
 }
 
-void ReciprocalGrid::set_both_kvec(const ModuleBase::Matrix3& G, const ModuleBase::Matrix3& R, std::string& skpt)
+void ReciprocalGrid::set_both_kvec(const ModuleBase::Matrix3& G,
+                                   const ModuleBase::Matrix3& R,
+                                   std::string& skpt,
+                                   std::ofstream& ofs_running)
 {
     // Re-derive the "which representation was read from file" flags.
     // For auto-generated meshes (k_nkstot == 0) the direct coordinates
@@ -220,7 +223,7 @@ void ReciprocalGrid::set_both_kvec(const ModuleBase::Matrix3& G, const ModuleBas
                                  this->kvec_d[i].z,
                                  this->wk[i]);
     }
-    GlobalV::ofs_running << table << std::endl;
+    ofs_running << table << std::endl;
     if (GlobalV::MY_RANK == 0)
     {
         std::stringstream ss;

source/source_cell/reciprocal_grid.h

@@ -103,8 +103,12 @@ class ReciprocalGrid
      * @param G reciprocal lattice matrix
      * @param R real space lattice matrix
      * @param skpt output string holding the point table
+     * @param ofs_running running-log stream
      */
-    void set_both_kvec(const ModuleBase::Matrix3& G, const ModuleBase::Matrix3& R, std::string& skpt);
+    void set_both_kvec(const ModuleBase::Matrix3& G,
+                       const ModuleBase::Matrix3& R,
+                       std::string& skpt,
+                       std::ofstream& ofs_running);
 
     /// @brief Normalize the weights so that they sum to the spin degeneracy.
     void normalize_wk(const int& degspin);

source/source_cell/test/klist_test.cpp

@@ -730,28 +730,28 @@ TEST_F(KlistTest, SetBothKvecFlagsFromFile)
     kv->kc_done = false;
     // case 1
     kv->k_nkstot = 0;
-//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
-    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
+//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
+    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
     EXPECT_TRUE(kv->kd_done);
     EXPECT_TRUE(kv->kc_done);
     // case 2
     kv->k_nkstot = 1;
     kv->k_kword = "D";
-//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
-    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
+//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
+    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
     EXPECT_TRUE(kv->kd_done);
     EXPECT_TRUE(kv->kc_done);
     // case 3
     kv->k_kword = "C";
-//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
-    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
+//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
+    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
     EXPECT_TRUE(kv->kc_done);
     EXPECT_TRUE(kv->kd_done);
     // case 4
     GlobalV::ofs_warning.open("klist_tmp_warning_8");
     kv->k_kword = "arbitrary";
-//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
-    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
+//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
+    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
     GlobalV::ofs_warning.close();
     ifs.open("klist_tmp_warning_8");
     std::string str((std::istreambuf_iterator<char>(ifs)), std::istreambuf_iterator<char>());
@@ -772,13 +772,13 @@ TEST_F(KlistTest, SetBothKvec)
     kv->kc_done = false;
     kv->kd_done = true;
     std::string skpt;
-//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
-    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
+//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
+    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
     EXPECT_TRUE(kv->kc_done);
     kv->kc_done = true;
     kv->kd_done = false;
-//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
-    kv->set_both_kvec(ucell.G, ucell.latvec, skpt);
+//    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
+    kv->set_both_kvec(ucell.G, ucell.latvec, skpt, GlobalV::ofs_running);
     EXPECT_TRUE(kv->kd_done);
 }