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Atomic-orbital Based Ab-initio Computation at UStc
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cal_vel.cpp File Reference
#include "source_base/timer.h"
#include "source_hamilt/module_xc/xc_functional.h"
#include "source_io/module_parameter/parameter.h"
#include "surchem.h"
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Functions

void shape_gradn (const double *PS_TOTN_real, const ModulePW::PW_Basis *rho_basis, double *eprime)
 
void eps_pot (const double *PS_TOTN_real, const double &tpiba, const std::complex< double > *phi, const ModulePW::PW_Basis *rho_basis, double *d_eps, double *vwork)
 

Function Documentation

◆ eps_pot()

void eps_pot ( const double *  PS_TOTN_real,
const double &  tpiba,
const std::complex< double > *  phi,
const ModulePW::PW_Basis rho_basis,
double *  d_eps,
double *  vwork 
)
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◆ shape_gradn()

void shape_gradn ( const double *  PS_TOTN_real,
const ModulePW::PW_Basis rho_basis,
double *  eprime 
)
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