ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include <ekinetic_op.h>
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. | |
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
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
tmhpsi | : output array |