fix a varible replace bug

Author: goodchong

source/module_cell/module_neighbor/test/sltk_grid_test.cpp

@@ -83,9 +83,9 @@ TEST_F(SltkGridTest, Init)
     PARAM.input.test_grid = 1;
     Grid LatGrid(PARAM.input.test_grid);
     LatGrid.init(ofs, *ucell, radius, pbc);
-    EXPECT_EQ(LatGrid.getGlayerX(), 11);
-    EXPECT_EQ(LatGrid.getGlayerY(), 11);
-    EXPECT_EQ(LatGrid.getGlayerZ(), 11);
+    EXPECT_EQ(LatGrid.getGlayerX(), 6);
+    EXPECT_EQ(LatGrid.getGlayerY(), 6);
+    EXPECT_EQ(LatGrid.getGlayerZ(), 6);
     EXPECT_EQ(LatGrid.getGlayerX_minus(), 5);
     EXPECT_EQ(LatGrid.getGlayerY_minus(), 5);
     EXPECT_EQ(LatGrid.getGlayerZ_minus(), 5);

source/module_hamilt_lcao/hamilt_lcaodft/spar_dh.cpp

@@ -72,9 +72,9 @@ void sparse_format::set_R_range(std::set<Abfs::Vector3_Order<int>>& all_R_coor,
     int RminY = int(-GlobalC::GridD.getGlayerY_minus());
     int RminZ = int(-GlobalC::GridD.getGlayerZ_minus());
 
-    int Rx = GlobalC::GridD.getGlayerX();
-    int Ry = GlobalC::GridD.getGlayerY();
-    int Rz = GlobalC::GridD.getGlayerZ();
+    int Rx = GlobalC::GridD.getGlayerX() + GlobalC::GridD.getGlayerX_minus();
+    int Ry = GlobalC::GridD.getGlayerY() + GlobalC::GridD.getGlayerY_minus();
+    int Rz = GlobalC::GridD.getGlayerZ() + GlobalC::GridD.getGlayerZ_minus();
 
     for (int ix = 0; ix < Rx; ix++)
     {

source/module_io/cal_r_overlap_R.cpp

@@ -250,9 +250,9 @@ void cal_r_overlap_R::out_rR(const UnitCell& ucell, const int& istep)
     int R_minY = int(-GlobalC::GridD.getGlayerY_minus());
     int R_minZ = int(-GlobalC::GridD.getGlayerZ_minus());
 
-    int R_x = GlobalC::GridD.getGlayerX();
-    int R_y = GlobalC::GridD.getGlayerY();
-    int R_z = GlobalC::GridD.getGlayerZ();
+    int R_x = GlobalC::GridD.getGlayerX() + GlobalC::GridD.getGlayerX_minus();
+    int R_y = GlobalC::GridD.getGlayerY() + GlobalC::GridD.getGlayerY_minus();
+    int R_z = GlobalC::GridD.getGlayerZ() + GlobalC::GridD.getGlayerZ_minus();
 
     std::set<Abfs::Vector3_Order<int>> all_R_coor;
     for (int ix = 0; ix < R_x; ix++)

source/module_io/to_wannier90_lcao.cpp

@@ -309,9 +309,9 @@ void toWannier90_LCAO::set_R_coor(const UnitCell& ucell)
     int R_minY = int(-GlobalC::GridD.getGlayerY_minus());
     int R_minZ = int(-GlobalC::GridD.getGlayerZ_minus());
 
-    int R_x = GlobalC::GridD.getGlayerX();
-    int R_y = GlobalC::GridD.getGlayerY();
-    int R_z = GlobalC::GridD.getGlayerZ();
+    int R_x = GlobalC::GridD.getGlayerX() + GlobalC::GridD.getGlayerX_minus();
+    int R_y = GlobalC::GridD.getGlayerY() + GlobalC::GridD.getGlayerY_minus();
+    int R_z = GlobalC::GridD.getGlayerZ() + GlobalC::GridD.getGlayerZ_minus();
 
     int R_num = R_x * R_y * R_z;
     R_coor_car.resize(R_num);