elecstate::elecstate_pw_op< FPTYPE, Device > Struct Template Reference

#include <elecstate_op.h>

Collaboration diagram for elecstate::elecstate_pw_op< FPTYPE, Device >:

Public Member Functions
void	operator() (const Device *ctx, const int &spin, const int &nrxx, const FPTYPE &weight, FPTYPE **rho, const std::complex< FPTYPE > *wfcr)
	Calculate psiToRho output within the band-by-band loop, NSPIN != 4.
void	operator() (const Device *ctx, const bool &DOMAG, const bool &DOMAG_Z, const int &nrxx, const FPTYPE &weight, FPTYPE **rho, const std::complex< FPTYPE > *wfcr, const std::complex< FPTYPE > *wfcr_another_spin)
	Calculate psiToRho output within the band-by-band loop, NSPIN == 4.

Member Function Documentation

operator()() [1/2]

template<typename FPTYPE , typename Device >

void elecstate::elecstate_pw_op< FPTYPE, Device >::operator()	(	const Device *	ctx,
		const bool &	DOMAG,
		const bool &	DOMAG_Z,
		const int &	nrxx,
		const FPTYPE &	weight,
		FPTYPE **	rho,
		const std::complex< FPTYPE > *	wfcr,
		const std::complex< FPTYPE > *	wfcr_another_spin
	)

Calculate psiToRho output within the band-by-band loop, NSPIN == 4.

Input Parameters

Parameters

ctx	- which device this function runs on
DOMAG	- PARAM.globalv.domag
DOMAG_Z	- PARAM.globalv.domag_z
nrxx	- number of planewaves
weight	- input constant
wfcr	- input array, psi in real space
wfcr_another_spin	- input array, psi in real space

Output Parameters

Parameters

rho	- electronic densities

operator()() [2/2]

template<typename FPTYPE , typename Device >

void elecstate::elecstate_pw_op< FPTYPE, Device >::operator()	(	const Device *	ctx,
		const int &	spin,
		const int &	nrxx,
		const FPTYPE &	weight,
		FPTYPE **	rho,
		const std::complex< FPTYPE > *	wfcr
	)

Calculate psiToRho output within the band-by-band loop, NSPIN != 4.

Input Parameters

Parameters

ctx	- which device this function runs on
spin	- current spin
nrxx	- number of planewaves
weight	- input constant
wfcr	- input array, psi in real space

Output Parameters

Parameters

rho	- electronic densities

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/kernels/elecstate_op.h