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Atomic-orbital Based Ab-initio Computation at UStc
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ModulePW::set_3d_fft_box_op< FPTYPE, Device > Struct Template Reference

#include <pw_op.h>

Collaboration diagram for ModulePW::set_3d_fft_box_op< FPTYPE, Device >:

Public Member Functions

void operator() (const int npwk, const int *box_index, const std::complex< FPTYPE > *in, std::complex< FPTYPE > *out)
 Set the 3D fft box for fft transfrom between the recip and real space. To map the 1D psi(1D continuous array) to 3D box psi(fft box)
 

Member Function Documentation

◆ operator()()

template<typename FPTYPE , typename Device >
void ModulePW::set_3d_fft_box_op< FPTYPE, Device >::operator() ( const int  npwk,
const int *  box_index,
const std::complex< FPTYPE > *  in,
std::complex< FPTYPE > *  out 
)

Set the 3D fft box for fft transfrom between the recip and real space. To map the 1D psi(1D continuous array) to 3D box psi(fft box)

Input Parameters

Parameters
dev- which device this function runs on
npwk- number of planwaves
box_index- the mapping function of 1D to 3D
in- input psi within a 1D array(in recip space)

Output Parameters

Parameters
out- output psi within the 3D box(in recip space)

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