sc::detail::_OrbResponse< T > Struct Template Reference

this functor helps to implement orbital response More...

#include <chemistry/qc/mbptr12/sr_r12intermediates_VXB_diag.h>

Public Types
typedef TiledArray::Array< T, 2 >	Array2
typedef TiledArray::Array< T, 4 >	Array4

Public Member Functions
	_OrbResponse (const Array2 &f_AB, const Array2 &f_ij, const Array4 &g_ij_ab, const Array4 &g_ia_jb)
void	operator() (const Array2 &kappa, Array2 &residual)

Public Attributes
const Array2 &	F_AB
const Array2 &	F_IJ
const Array4 &	G_IJ_AB
const Array4 &	G_IA_JB

Detailed Description

template<typename T>
struct sc::detail::_OrbResponse< T >

this functor helps to implement orbital response

Constructor & Destructor Documentation

_OrbResponse()

template<typename T>

sc::detail::_OrbResponse< T >::_OrbResponse ( const Array2 &  f_AB, const Array2 &  f_ij, const Array4 &  g_ij_ab, const Array4 &  g_ia_jb  )

inline

Parameters

f_AB	virt/virt Fock operator
f_ij	occ/occ Fock operator
g_ij_ab	<ij|ab>
g_ia_jb	<ia|jb>

Member Function Documentation

operator()()

template<typename T>

void sc::detail::_OrbResponse< T >::operator() ( const Array2 &  kappa, Array2 &  residual  )

inline

Parameters

[in]	kappa	kappa_i^a
[out]	residual	residual_i^a

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

• src/lib/chemistry/qc/mbptr12/sr_r12intermediates_VXB_diag.h