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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | List of all members
hamilt::ekinetic_pw_op< FPTYPE, Device > Struct Template Reference

#include <ekinetic_op.h>

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

Public Member Functions

void operator() (const Device *dev, const int &nband, const int &npw, const int &max_npw, const bool &is_first_node, const FPTYPE &tpiba2, const FPTYPE *gk2_ik, std::complex< FPTYPE > *tmhpsi, const std::complex< FPTYPE > *tmpsi_in)
 Compute the ekinetic potential of hPsi.
 

Member Function Documentation

◆ operator()()

template<typename FPTYPE , typename Device >
void hamilt::ekinetic_pw_op< FPTYPE, Device >::operator() ( const Device *  dev,
const int &  nband,
const int &  npw,
const int &  max_npw,
const bool &  is_first_node,
const FPTYPE &  tpiba2,
const FPTYPE *  gk2_ik,
std::complex< FPTYPE > *  tmhpsi,
const std::complex< FPTYPE > *  tmpsi_in 
)

Compute the ekinetic potential of hPsi.

Input Parameters

Parameters
dev: the type of computing device
nband: nbands
npw: number of planewaves of current k point
max_npw: max number of planewaves of all k points
tpiba2: ucell.tpiba2
spin: current spin
gk2_ik: GlobalC::wfcpw->gk2
tmpsi_in: intermediate array

Output Parameters

Parameters
tmhpsi: output array

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