hamilt::veff_pw_op< FPTYPE, Device > Struct Template Reference

#include <veff_op.h>

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

Public Member Functions
void	operator() (const Device *dev, const int &size, std::complex< FPTYPE > *out, const FPTYPE *in)
	Compute the effective potential of hPsi in real space, out[ir] *= in[ir];.
void	operator() (const Device *dev, const int &size, std::complex< FPTYPE > *out, std::complex< FPTYPE > *out1, const FPTYPE **in)
	Compute the effective potential of hPsi in real space with NSPIN > 2,.

Member Function Documentation

operator()() [1/2]

template<typename FPTYPE , typename Device >

void hamilt::veff_pw_op< FPTYPE, Device >::operator()	(	const Device *	dev,
		const int &	size,
		std::complex< FPTYPE > *	out,
		const FPTYPE *	in
	)

Compute the effective potential of hPsi in real space, out[ir] *= in[ir];.

Input Parameters

Parameters

dev	: the type of computing device
size	: array size
in	: input array, elecstate::Potential::v_effective

Output Parameters

Parameters

out	: output array

operator()() [2/2]

template<typename FPTYPE , typename Device >

void hamilt::veff_pw_op< FPTYPE, Device >::operator()	(	const Device *	dev,
		const int &	size,
		std::complex< FPTYPE > *	out,
		std::complex< FPTYPE > *	out1,
		const FPTYPE **	in
	)

Compute the effective potential of hPsi in real space with NSPIN > 2,.

out[ir] = out[ir] * (in[0][ir] + in[3][ir])

• out1[ir]
  • (in[1][ir]
  • std::complex<FPTYPE>(0.0, 1.0) * in[2][ir]);

out1[ir] = out1[ir] * (in[0][ir] - in[3][ir])

• out[ir]
  • (in[1][ir]
    • std::complex<FPTYPE>(0.0, 1.0) * in[2][ir]);

Input Parameters

Parameters

dev	: the type of computing device
size	: array size
in	: input array, elecstate::Potential::v_effective

Output Parameters

Parameters

out	: output array 1
out1	: output array 2

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

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