fix compiler error for sltk_grid_driver in CI test

Author: dyzheng

source/module_neighbor/sltk_grid_driver.cpp

@@ -315,33 +315,32 @@ ModuleBase::Vector3<double> Grid_Driver::Calculate_adjacent_site
 	return adjacent_site;
 }
 
-#include "../src_pw/global.h"
-std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>> Grid_Driver::get_adjs(const size_t &iat)
+std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>> Grid_Driver::get_adjs(const UnitCell_pseudo& ucell_in, const size_t &iat)
 {
-    const int it = GlobalC::ucell.iat2it[iat];
-    const int ia = GlobalC::ucell.iat2ia[iat];
-    const ModuleBase::Vector3<double> &tau = GlobalC::ucell.atoms[it].tau[ia];
+    const int it = ucell_in.iat2it[iat];
+    const int ia = ucell_in.iat2ia[iat];
+    const ModuleBase::Vector3<double> &tau = ucell_in.atoms[it].tau[ia];
 
     std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>> adjs;
-    GlobalC::GridD.Find_atom(GlobalC::ucell, tau, it, ia);
-    for(int ad=0; ad<GlobalC::GridD.getAdjacentNum()+1; ad++)
+    this->Find_atom(ucell_in, tau, it, ia);
+    for(int ad=0; ad<this->getAdjacentNum()+1; ad++)
     {
-        const size_t it_ad = GlobalC::GridD.getType(ad);
-        const size_t ia_ad = GlobalC::GridD.getNatom(ad);
-        const ModuleBase::Vector3<int> box_ad = GlobalC::GridD.getBox(ad);
-        const ModuleBase::Vector3<double> tau_ad = GlobalC::GridD.getAdjacentTau(ad);
+        const size_t it_ad = this->getType(ad);
+        const size_t ia_ad = this->getNatom(ad);
+        const ModuleBase::Vector3<int> box_ad = this->getBox(ad);
+        const ModuleBase::Vector3<double> tau_ad = this->getAdjacentTau(ad);
 
         adjs.push_back(std::make_tuple(it_ad, ia_ad, box_ad, tau_ad));
     }
     return adjs;
 }
 
-std::vector<std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>>> Grid_Driver::get_adjs()
+std::vector<std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>>> Grid_Driver::get_adjs(const UnitCell_pseudo& ucell_in)
 {
-    std::vector<std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>>> adjs(GlobalC::ucell.nat);
-    for(size_t iat=0; iat<GlobalC::ucell.nat; iat++)
+    std::vector<std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>>> adjs(ucell_in.nat);
+    for(size_t iat=0; iat<ucell_in.nat; iat++)
     {
-        adjs[iat] = Grid_Driver::get_adjs(iat);
+        adjs[iat] = Grid_Driver::get_adjs(ucell_in, iat);
     }
     return adjs;
 }

source/module_neighbor/sltk_grid_driver.h

@@ -6,10 +6,11 @@
 #include "sltk_atom.h"
 #include "sltk_atom_input.h"
 #include "sltk_grid.h"
-#include "../module_base/global_function.h"
-#include "../module_base/global_variable.h"
-#include "../module_base/vector3.h"
-#include "../src_pw/pw_basis.h"
+#include "module_base/global_function.h"
+#include "module_base/global_variable.h"
+#include "module_base/vector3.h"
+#include "src_pw/pw_basis.h"
+#include "module_cell/unitcell_pseudo.h"
 #include <tuple>
 
 class Grid_Driver : public Grid
@@ -51,8 +52,8 @@ class Grid_Driver : public Grid
 	const ModuleBase::Vector3<double>& getAdjacentTau(const int i) const { return adjacent_tau[i]; } 
 	const ModuleBase::Vector3<int>& getBox(const int i) const {return box[i];}
 
-    std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>> get_adjs(const size_t &iat);
-    std::vector<std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>>> get_adjs();
+    std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>> get_adjs(const UnitCell_pseudo& ucell_in, const size_t &iat);
+    std::vector<std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>>> get_adjs(const UnitCell_pseudo& ucell_in);
 
 private:
 

source/src_lcao/LCAO_gen_fixedH.cpp

@@ -1148,7 +1148,7 @@ void LCAO_gen_fixedH::build_Nonlocal_beta_new() //update by liuyu 2021-04-07
     mkl_set_num_threads(1);
 #endif
 
-    const std::vector<std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>>> adjs_all = GlobalC::GridD.get_adjs();
+    const std::vector<std::vector<std::tuple<int, int, ModuleBase::Vector3<int>, ModuleBase::Vector3<double>>>> adjs_all = GlobalC::GridD.get_adjs(GlobalC::ucell);
 
 #ifdef _OPENMP
     #pragma omp parallel