chgmixing.h File Reference

#include "source_estate/elecstate.h"
#include "source_estate/module_charge/charge.h"
#include "source_estate/module_charge/charge_mixing.h"
#include "source_io/module_parameter/input_parameter.h"
#include "source_cell/unitcell.h"

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Namespaces
namespace	module_charge

Functions
void	module_charge::chgmixing_ks (const int iter, UnitCell &ucell, elecstate::ElecState *pelec, Charge &chr, Charge_Mixing *p_chgmix, const int nrxx, double &drho, bool &oscillate_esolver, bool &conv_esolver, const double &hsolver_error, const double &scf_thr, const double &scf_ene_thr, const Input_para &inp)
void	module_charge::chgmixing_ks_pw (const int iter, Charge_Mixing *p_chgmix, const Input_para &inp)
void	module_charge::chgmixing_ks_lcao (const int iter, Charge_Mixing *p_chgmix, const int nnr, const Input_para &inp)