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Atomic-orbital Based Ab-initio Computation at UStc
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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"
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Functions

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

Function Documentation

◆ CalculateEigenvalues()

std::vector< double > CalculateEigenvalues ( std::vector< std::vector< double > > &  A,
int  n 
)
inline
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◆ JacobiRotate()

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