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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
print_info.cpp File Reference
#include "print_info.h"
#include "source_base/global_variable.h"
#include "source_io/module_parameter/parameter.h"
Include dependency graph for print_info.cpp:

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)