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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
dftu_io.cpp File Reference
#include "dftu.h"
#include "source_base/timer.h"
#include "source_io/module_parameter/parameter.h"
#include "source_pw/module_pwdft/global.h"
Include dependency graph for dftu_io.cpp:

Namespaces

namespace  ModuleDFTU
 

Functions

std::vector< double > ModuleDFTU::CalculateEigenvalues (std::vector< std::vector< double > > &A, int n)
 
void ModuleDFTU::JacobiRotate (std::vector< std::vector< double > > &A, int p, int q, int n)