|
ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
|
#include <pw_op.h>
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) | |
| 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
| 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
| out | - output psi within the 3D box(in recip space) |