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Atomic-orbital Based Ab-initio Computation at UStc
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Functions
cal_vcav.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 lapl_rho (const double &tpiba2, const std::complex< double > *rhog, double *lapn, const ModulePW::PW_Basis *rho_basis)
 
void shape_gradn (const std::complex< double > *ps_totn, const ModulePW::PW_Basis *rho_basis, double *eprime)
 

Function Documentation

◆ lapl_rho()

void lapl_rho ( const double &  tpiba2,
const std::complex< double > *  rhog,
double *  lapn,
const ModulePW::PW_Basis rho_basis 
)
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◆ shape_gradn()

void shape_gradn ( const std::complex< double > *  ps_totn,
const ModulePW::PW_Basis rho_basis,
double *  eprime 
)
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