ctrl_iter_lcao.cpp File Reference

#include "source_io/ctrl_iter_lcao.h"
#include "source_pw/module_pwdft/global.h"
#include "source_lcao/module_deepks/LCAO_deepks.h"
#include "source_lcao/module_deepks/LCAO_deepks_interface.h"

Include dependency graph for ctrl_iter_lcao.cpp:

Namespaces
namespace	ModuleIO

Functions
template<typename TK , typename TR >
void	ModuleIO::ctrl_iter_lcao (UnitCell &ucell, const Input_para &inp, K_Vectors &kv, elecstate::ElecState *pelec, elecstate::DensityMatrix< TK, double > &dm, Parallel_Orbitals &pv, Grid_Driver &gd, psi::Psi< TK > *psi, Charge &chr, Charge_Mixing *p_chgmix, hamilt::HamiltLCAO< TK, TR > *p_hamilt, LCAO_Orbitals &orb, Setup_DeePKS< TK > &deepks, Exx_NAO< TK > &exx_nao, int &iter, const int istep, bool &conv_esolver, const double &scf_ene_thr)
template void	ModuleIO::ctrl_iter_lcao< double, double > (UnitCell &ucell, const Input_para &inp, K_Vectors &kv, elecstate::ElecState *pelec, elecstate::DensityMatrix< double, double > &dm, Parallel_Orbitals &pv, Grid_Driver &gd, psi::Psi< double > *psi, Charge &chr, Charge_Mixing *p_chgmix, hamilt::HamiltLCAO< double, double > *p_hamilt, LCAO_Orbitals &orb, Setup_DeePKS< double > &deepks, Exx_NAO< double > &exx_nao, int &iter, const int istep, bool &conv_esolver, const double &scf_ene_thr)
template void	ModuleIO::ctrl_iter_lcao< std::complex< double >, double > (UnitCell &ucell, const Input_para &inp, K_Vectors &kv, elecstate::ElecState *pelec, elecstate::DensityMatrix< std::complex< double >, double > &dm, Parallel_Orbitals &pv, Grid_Driver &gd, psi::Psi< std::complex< double > > *psi, Charge &chr, Charge_Mixing *p_chgmix, hamilt::HamiltLCAO< std::complex< double >, double > *p_hamilt, LCAO_Orbitals &orb, Setup_DeePKS< std::complex< double > > &deepks, Exx_NAO< std::complex< double > > &exx_nao, int &iter, const int istep, bool &conv_esolver, const double &scf_ene_thr)