ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include "esolver.h"
#include "esolver_ks_pw.h"
#include "esolver_sdft_pw.h"
#include "source_base/module_device/device.h"
#include "source_io/module_parameter/parameter.h"
#include "esolver_dp.h"
#include "esolver_lj.h"
#include "esolver_of.h"
#include "source_io/module_parameter/md_parameter.h"
#include <stdexcept>
Namespaces | |
namespace | ModuleESolver |
plane wave basis | |
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) |