change elesctate_gather of ucell_oemga

Author: A-006

source/module_elecstate/elecstate_getters.cpp

@@ -8,10 +8,6 @@
 namespace elecstate
 {
 
-double get_ucell_tpiba()
-{
-    return GlobalC::ucell.tpiba;
-}
 
 int get_xc_func_type()
 {

source/module_elecstate/elecstate_getters.h

@@ -7,8 +7,6 @@
 namespace elecstate
 {
 
-/// @brief get the value of .tpiba
-double get_ucell_tpiba();
 /// @brief get the value of XC_Functional::func_type
 int get_xc_func_type();
 

source/module_elecstate/elecstate_pw.cpp

@@ -222,7 +222,7 @@ void ElecStatePW<T, Device>::rhoBandK(const psi::Psi<T, Device>& psi)
                               j,
                               npw,
                               this->basis->npwk_max,
-                              static_cast<Real>(get_ucell_tpiba()),
+                              static_cast<Real>(ucell->tpiba),
                               this->basis->template get_gcar_data<Real>(),
                               this->basis->template get_kvec_c_data<Real>(),
                               &psi(ibnd, 0),

source/module_elecstate/elecstate_pw_cal_tau.cpp

@@ -38,7 +38,7 @@ void ElecStatePW<T, Device>::cal_tau(const psi::Psi<T, Device>& psi)
                             j,
                             npw,
                             this->basis->npwk_max,
-                            static_cast<Real>(get_ucell_tpiba()),
+                            static_cast<Real>(ucell->tpiba),
                             this->basis->template get_gcar_data<Real>(),
                             this->basis->template get_kvec_c_data<Real>(),
                             &psi(ibnd, 0),

source/module_elecstate/test/elecstate_magnetism_test.cpp

@@ -31,10 +31,6 @@ Charge::~Charge()
 {
 }
 
-double elecstate::get_ucell_omega()
-{
-    return 500.0;
-}
 
 class MagnetismTest : public ::testing::Test
 {
@@ -57,10 +53,6 @@ TEST_F(MagnetismTest, Magnetism)
     EXPECT_EQ(nullptr, magnetism->start_magnetization);
 }
 
-TEST_F(MagnetismTest, GlobalInfo)
-{
-    EXPECT_EQ(500.0, elecstate::get_ucell_omega());
-}
 
 TEST_F(MagnetismTest, JudgeParallel)
 {
@@ -91,7 +83,7 @@ TEST_F(MagnetismTest, ComputeMagnetizationS2)
                                     chr->rho[1][ir] = 1.01;
                   }
                   double* nelec_spin = new double[2];
-                  magnetism->compute_magnetization(chr->nrxx, chr->nxyz, chr->rho, nelec_spin);
+                  magnetism->compute_magnetization(500.0, chr->nrxx, chr->nxyz, chr->rho, nelec_spin);
                   EXPECT_DOUBLE_EQ(-0.5, magnetism->tot_magnetization);
                   EXPECT_DOUBLE_EQ(0.5, magnetism->abs_magnetization);
                   EXPECT_DOUBLE_EQ(4.75, nelec_spin[0]);
@@ -125,7 +117,7 @@ TEST_F(MagnetismTest, ComputeMagnetizationS4)
                                         chr->rho[3][ir] = 1.00;
                     }
                     double* nelec_spin = new double[4];
-                    magnetism->compute_magnetization(chr->nrxx, chr->nxyz, chr->rho, nelec_spin);
+                    magnetism->compute_magnetization(500.0, chr->nrxx, chr->nxyz, chr->rho, nelec_spin);
                     EXPECT_DOUBLE_EQ(100.0, magnetism->abs_magnetization);
                     EXPECT_DOUBLE_EQ(50.0*std::sqrt(2.0), magnetism->tot_magnetization_nc[0]);
                     EXPECT_DOUBLE_EQ(50.0, magnetism->tot_magnetization_nc[1]);