ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include "source_base/timer.h"
#include "source_basis/module_pw/pw_basis_k.h"
#include "source_cell/klist.h"
#include "source_cell/unitcell.h"
#include "source_io/module_parameter/input_parameter.h"
Go to the source code of this file.
Namespaces | |
namespace | ModuleIO |
This class has two functions: restart psi from the previous calculation, and write psi to the disk. | |
Functions | |
void | ModuleIO::setup_parameters (UnitCell &ucell, K_Vectors &kv) |
void | ModuleIO::print_time (time_t &time_start, time_t &time_finish) |
void | ModuleIO::print_screen (const int &stress_step, const int &force_step, const int &istep) |
void | ModuleIO::print_rhofft (ModulePW::PW_Basis *pw_rhod, ModulePW::PW_Basis *pw_rho, ModulePW::PW_Basis_Big *pw_big, std::ofstream &ofs) |
Print charge density using FFT. | |
void | ModuleIO::print_wfcfft (const Input_para &inp, ModulePW::PW_Basis_K &pw_wfc, std::ofstream &ofs) |