esolver.h File Reference

#include "source_base/matrix.h"
#include "source_cell/unitcell.h"
#include "source_io/module_parameter/parameter.h"

Include dependency graph for esolver.h:

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

Go to the source code of this file.

Classes
class	ModuleESolver::ESolver

Namespaces
namespace	ModuleESolver
	The First-Principles (FP) Energy Solver Class.

Functions
std::string	ModuleESolver::determine_type ()
	A subrutine called in init_esolver() This function returns type of ESolver Based on PARAM.inp.basis_type and PARAM.inp.esolver_type.
ESolver *	ModuleESolver::init_esolver (const Input_para &inp, UnitCell &ucell)
	Determine and initialize an ESolver based on input information.
void	ModuleESolver::clean_esolver (ESolver *&pesolver, const bool lcao_cblacs_exit)