ctrl_iter_lcao.h File Reference

#include "source_cell/unitcell.h"
#include "source_cell/klist.h"
#include "source_estate/elecstate_lcao.h"
#include "source_psi/psi.h"
#include "source_estate/module_charge/charge.h"
#include "source_estate/module_charge/charge_mixing.h"
#include "source_lcao/hamilt_lcao.h"
#include "source_lcao/setup_exx.h"
#include "source_lcao/setup_deepks.h"

Include dependency graph for ctrl_iter_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_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)