ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include "print_info.h"
#include "source_base/global_variable.h"
#include "source_io/module_parameter/parameter.h"
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_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) |
void | ModuleIO::print_screen (const int &stress_step, const int &force_step, const int &istep) |