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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include <pw_op.h>
Public Member Functions | |
| void | operator() (const int npw_k, const int nxyz, const bool add, const FPTYPE factor, const int *box_index, const std::complex< FPTYPE > *in, std::complex< FPTYPE > *out) |
| Calculate the outputs after the FFT translation of real_to_recip. | |
| void | operator() (const int npw_k, const int nxyz, const bool add, const FPTYPE factor, const int *box_index, const std::complex< FPTYPE > *in, FPTYPE *out) |
| void ModulePW::set_real_to_recip_output_op< FPTYPE, Device >::operator() | ( | const int | npw_k, |
| const int | nxyz, | ||
| const bool | add, | ||
| const FPTYPE | factor, | ||
| const int * | box_index, | ||
| const std::complex< FPTYPE > * | in, | ||
| FPTYPE * | out | ||
| ) |
| void ModulePW::set_real_to_recip_output_op< FPTYPE, Device >::operator() | ( | const int | npw_k, |
| const int | nxyz, | ||
| const bool | add, | ||
| const FPTYPE | factor, | ||
| const int * | box_index, | ||
| const std::complex< FPTYPE > * | in, | ||
| std::complex< FPTYPE > * | out | ||
| ) |
Calculate the outputs after the FFT translation of real_to_recip.
Input Parameters
| dev | - which device this function runs on |
| nxyz | - size of array |
| add | - flag to control whether to add the input itself |
| factor | - input constant value |
| box_index | - input box parameters |
| in | - input psi within a 1D array(in recip space) |
Output Parameters
| out | - output psi within the 3D box(in recip space) |