ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
Loading...
Searching...
No Matches
Public Member Functions | List of all members
hamilt::hpsi_norm_op< FPTYPE, Device > Struct Template Reference

#include <hpsi_norm_op.h>

Collaboration diagram for hamilt::hpsi_norm_op< FPTYPE, Device >:

Public Member Functions

void operator() (const Device *dev, const int &nbands, const int &npwk_max, const int &npwk, const FPTYPE &Ebar, const FPTYPE &DeltaE, std::complex< FPTYPE > *hpsi_norm, const std::complex< FPTYPE > *psi_in)
 normalize hPsi with emin and emax
 

Member Function Documentation

◆ operator()()

template<typename FPTYPE , typename Device >
void hamilt::hpsi_norm_op< FPTYPE, Device >::operator() ( const Device *  dev,
const int &  nbands,
const int &  npwk_max,
const int &  npwk,
const FPTYPE &  Ebar,
const FPTYPE &  DeltaE,
std::complex< FPTYPE > *  hpsi_norm,
const std::complex< FPTYPE > *  psi_in 
)

normalize hPsi with emin and emax

Input Parameters

Parameters
dev: the type of computing device
nbands: nbands
npwk_max: max number of planewaves of all k points
npwk: number of planewaves of current k point
Ebar: (emin + emax) / 2
DeltaE: (emax - emin) / 2
hpsi_norm: hPsi
psi_in: input psi Output Parameters
tmhpsi: output array

The documentation for this struct was generated from the following file: