esolver_of_tddft cmakelist

Author: lyb9812

source/source_esolver/CMakeLists.txt

@@ -8,6 +8,7 @@ list(APPEND objects
     esolver_lj.cpp
     esolver_dp.cpp
     esolver_of.cpp
+    esolver_of_tddft.cpp
     esolver_of_interface.cpp
     esolver_of_tool.cpp
     pw_others.cpp

source/source_esolver/esolver_of_tddft.cpp

@@ -107,7 +107,6 @@ void ESolver_OF_TDDFT::runner(UnitCell& ucell, const int istep)
     }
     else
     {
-         std::cout<<"propagate_psi -------"<<std::endl;
         this->propagate_psi(ucell,this->pphi_td,this->pw_rho);
         for (int is = 0; is < PARAM.inp.nspin; ++is)
         {

source/source_esolver/esolver_of_tddft.h

@@ -18,7 +18,7 @@ class ESolver_OF_TDDFT : public ESolver_OF
     psi::Psi<std::complex<double>>* psi_td = nullptr;   
     //std::complex<double>** pdEdphi_phi_ = nullptr;             // (dE/dphi)*phi
     // ==================== main process of TDOFDFT ======================
-     void before_opt(const int istep, UnitCell& ucell);
+    void before_opt(const int istep, UnitCell& ucell);
     void get_Hpsi(UnitCell& ucell, const std::complex<double>* const* psi_, ModulePW::PW_Basis* pw_rho, std::complex<double>** Hpsi);
     void get_tf_potential(const double* const* prho, ModulePW::PW_Basis* pw_rho, ModuleBase::matrix& rpot);
     void get_vw_potential_phi(const std::complex<double>* const* pphi, ModulePW::PW_Basis* pw_rho, std::complex<double>** Hpsi); // -1/2 \nabla^2 \phi