update unit tests

Author: YuLiu98

source/module_hsolver/test/hsolver_supplementary_mock.h

@@ -1,5 +1,5 @@
 #pragma once
-#include "module_elecstate/elecstate.h"
+#include "module_elecstate/elecstate_pw.h"
 #include "module_psi/wavefunc.h"
 
 namespace elecstate
@@ -62,6 +62,46 @@ void ElecState::init_ks(Charge* chg_in, // pointer for class Charge
     return;
 }
 
+template <typename T, typename Device>
+ElecStatePW<T, Device>::ElecStatePW(ModulePW::PW_Basis_K* wfc_basis_in,
+                                    Charge* chg_in,
+                                    K_Vectors* pkv_in,
+                                    UnitCell* ucell_in,
+                                    pseudopot_cell_vnl* ppcell_in,
+                                    ModulePW::PW_Basis* rhodpw_in,
+                                    ModulePW::PW_Basis* rhopw_in,
+                                    ModulePW::PW_Basis_Big* bigpw_in)
+    : basis(wfc_basis_in)
+{
+}
+
+template <typename T, typename Device>
+ElecStatePW<T, Device>::~ElecStatePW()
+{
+}
+
+template <typename T, typename Device>
+void ElecStatePW<T, Device>::psiToRho(const psi::Psi<T, Device>& psi)
+{
+}
+
+template <typename T, typename Device>
+void ElecStatePW<T, Device>::cal_tau(const psi::Psi<T, Device>& psi)
+{
+}
+
+template <typename T, typename Device>
+void ElecStatePW<T, Device>::cal_becsum(const psi::Psi<T, Device>& psi)
+{
+}
+
+template class ElecStatePW<std::complex<float>, base_device::DEVICE_CPU>;
+template class ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>;
+#if ((defined __CUDA) || (defined __ROCM))
+template class ElecStatePW<std::complex<float>, base_device::DEVICE_GPU>;
+template class ElecStatePW<std::complex<double>, base_device::DEVICE_GPU>;
+#endif
+
 Potential::~Potential()
 {
 }

source/module_hsolver/test/test_hsolver_sdft.cpp

@@ -23,40 +23,11 @@ Sto_Func<REAL>::Sto_Func()
 }
 template class Sto_Func<double>;
 
-
-template <>
-elecstate::ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>::ElecStatePW(ModulePW::PW_Basis_K* wfc_basis_in,
-                                    Charge* chg_in,
-                                    K_Vectors* pkv_in,
-                                    UnitCell* ucell_in,
-                                    pseudopot_cell_vnl* ppcell_in,
-                                    ModulePW::PW_Basis* rhodpw_in,
-                                    ModulePW::PW_Basis* rhopw_in,
-                                    ModulePW::PW_Basis_Big* bigpw_in)
-    : basis(wfc_basis_in)
-{
-}
-
-template<>
-elecstate::ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>::~ElecStatePW() 
-{
-}
-
 template<>
 void elecstate::ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>::init_rho_data() 
 {
 }
 
-template<>
-void elecstate::ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>::psiToRho(const psi::Psi<std::complex<double>, base_device::DEVICE_CPU>& psi)
-{
-}
-
-template<>
-void elecstate::ElecStatePW<std::complex<double>, base_device::DEVICE_CPU>::cal_tau(const psi::Psi<std::complex<double>, base_device::DEVICE_CPU>& psi)
-{
-}
-
 template <typename REAL, typename Device>
 StoChe<REAL, Device>::StoChe(const int& nche, const int& method, const REAL& emax_sto, const REAL& emin_sto)
 {