ctrl_scf_lcao.h File Reference

#include <complex>
#include "source_cell/unitcell.h"
#include "source_cell/klist.h"
#include "source_estate/elecstate.h"
#include "source_psi/psi.h"
#include "source_lcao/hamilt_lcao.h"
#include "source_basis/module_nao/two_center_bundle.h"
#include "source_basis/module_pw/pw_basis_k.h"
#include "source_pw/module_pwdft/structure_factor.h"
#include "source_lcao/module_rdmft/rdmft.h"
#include "source_lcao/setup_deepks.h"
#include "source_lcao/setup_exx.h"
#include "source_estate/module_dm/density_matrix.h"

Include dependency graph for ctrl_scf_lcao.h:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Namespaces
namespace	ModuleIO

Functions
template<typename TK , typename TR >
void	ModuleIO::ctrl_scf_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, hamilt::HamiltLCAO< TK, TR > *p_hamilt, TwoCenterBundle &two_center_bundle, LCAO_Orbitals &orb, const ModulePW::PW_Basis_K *pw_wfc, const ModulePW::PW_Basis *pw_rho, const ModulePW::PW_Basis_Big *pw_big, const Structure_Factor &sf, rdmft::RDMFT< TK, TR > &rdmft_solver, Setup_DeePKS< TK > &deepks, Exx_NAO< TK > &exx_nao, const bool conv_esolver, const bool scf_nmax_flag, const int istep)