#include <force_op.h>

Collaboration diagram for hamilt::cal_vkb1_nl_op< FPTYPE, Device >:

Public Member Functions
void	operator() (const Device ctx, const int &nkb, const int &npwx, const int &vkb_nc, const int &nbasis, const int &ipol, const std::complex< FPTYPE > &NEG_IMAG_UNIT, const std::complex< FPTYPE > vkb, const FPTYPE gcar, std::complex< FPTYPE > vkb1)
	The prestep to calculate the final forces.

Member Function Documentation

◆ operator()()

template<typename FPTYPE , typename Device >

void hamilt::cal_vkb1_nl_op< FPTYPE, Device >::operator()	(	const Device *	ctx,
		const int &	nkb,
		const int &	npwx,
		const int &	vkb_nc,
		const int &	nbasis,
		const int &	ipol,
		const std::complex< FPTYPE > &	NEG_IMAG_UNIT,
		const std::complex< FPTYPE > *	vkb,
		const FPTYPE *	gcar,
		std::complex< FPTYPE > *	vkb1
	)

The prestep to calculate the final forces.

Input Parameters

Parameters

ctx	- which device this function runs on
nkb	- number of k point
npwx	- number of planewaves
vkb_nc	- the second dimension of vkb matrix
nbasis	- number of planewaves of current k point
ipol	- 0,1,2
NEG_IMAG_UNIT	- ModuleBase::NEG_IMAG_UNIT
vkb	- result of getvnl
gcar	- GlobalC::wfcpw->gcar

Output Parameters

Parameters

vkb1	- output vkb matrix

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

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