ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
Loading...
Searching...
No Matches
Namespaces | Functions
hsolver.cpp File Reference
#include "hsolver.h"
#include "source_io/module_parameter/parameter.h"
Include dependency graph for hsolver.cpp:

Namespaces

namespace  hsolver
 

Functions

double hsolver::set_diagethr_ks (const std::string basis_type, const std::string esolver_type, const std::string calculation_in, const std::string init_chg_in, const std::string precision_flag_in, const int istep, const int iter, const double drho, const double pw_diag_thr_init, const double diag_ethr_in, const double nelec_in)
 
double hsolver::set_diagethr_sdft (const std::string basis_type, const std::string esolver_type, const std::string calculation_in, const std::string init_chg_in, const int istep, const int iter, const double drho, const double pw_diag_thr_init, const double diag_ethr_in, const int nband_in, const double stoiter_ks_ne_in)
 
double hsolver::reset_diag_ethr (std::ofstream &ofs_running, const std::string basis_type, const std::string esolver_type, const std::string precision_flag_in, const double hsover_error, const double drho_in, const double diag_ethr_in, const double nelec_in)
 
double hsolver::cal_hsolve_error (const std::string basis_type, const std::string esolver_type, const double diag_ethr_in, const double nelec_in)