#include <stress_op.h>

Collaboration diagram for hamilt::cal_dbecp_noevc_nl_op< FPTYPE, Device >:

Public Member Functions
void	operator() (const Device ctx, const int &ipol, const int &jpol, const int &nkb, const int &npw, const int &npwx, const int &ik, const FPTYPE &tpiba, const FPTYPE gcar, const FPTYPE kvec_c, std::complex< FPTYPE > vkbi, std::complex< FPTYPE > vkbj, std::complex< FPTYPE > vkb, std::complex< FPTYPE > vkb1, std::complex< FPTYPE > vkb2, std::complex< FPTYPE > *dbecp_noevc)
	The prestep to calculate the final stresses.

Member Function Documentation

◆ operator()()

template<typename FPTYPE , typename Device >

void hamilt::cal_dbecp_noevc_nl_op< FPTYPE, Device >::operator()	(	const Device *	ctx,
		const int &	ipol,
		const int &	jpol,
		const int &	nkb,
		const int &	npw,
		const int &	npwx,
		const int &	ik,
		const FPTYPE &	tpiba,
		const FPTYPE *	gcar,
		const FPTYPE *	kvec_c,
		std::complex< FPTYPE > *	vkbi,
		std::complex< FPTYPE > *	vkbj,
		std::complex< FPTYPE > *	vkb,
		std::complex< FPTYPE > *	vkb1,
		std::complex< FPTYPE > *	vkb2,
		std::complex< FPTYPE > *	dbecp_noevc
	)

The prestep to calculate the final stresses.

Input Parameters

Parameters

ctx	- which device this function runs on
ipol	- loop of 0, 1, 2
jpol	- loop of 0, 1, 2
nkb	- number of k points
npw	- number of planewaves
npwx	- max number of planewaves
ik	- the current k point
tpiba	- ucell.tpiba
gcar	- GlobalC::wfcpw->gcar
kvec_c	- GlobalC::wfcpw->kvec_c
vkbi	- _vkb0[ipol]
vkbj	- _vkb0[jpol]
vkb	- result of getvnl
vkb1	- intermeidate matrix with size nkb * GlobalC::wf.npwx
vkb2	- intermeidate matrix with size nkb * GlobalC::wf.npwx

Output Parameters

Parameters

dbecp_noevc - result matrix with size nkb * GlobalC::wf.npwx

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

/home/runner/work/abacus-develop/abacus-develop/source/source_pw/module_pwdft/kernels/stress_op.h