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

Namespaces

namespace  ModuleIO
 This class has two functions: restart psi from the previous calculation, and write psi to the disk.
 

Functions

void ModuleIO::print_PAOs (const UnitCell &ucell)
 print chi (PAO) in pseudopotential file