madness::R_times_arg_div_R Struct Reference

compute the expression (\sum_i R_i)^(-1) \sum_i R_i arg(r,B,v_i) More...

Collaboration diagram for madness::R_times_arg_div_R:

Public Member Functions
	R_times_arg_div_R (std::function< double(const coord_3d &r, const coord_3d &B, const coord_3d &v)> &arg, const coord_3d &B, const std::vector< coord_3d > &vv, const double radius)
double	operator() (const coord_3d &r) const

Public Attributes
std::function< double(const coord_3d &r, const coord_3d &B, const coord_3d &vv)> &	arg
const coord_3d &	B
const double	radius
double	tightness
const std::vector< coord_3d > &	vv

Detailed Description

compute the expression (\sum_i R_i)^(-1) \sum_i R_i arg(r,B,v_i)

see compute_T_commutator_vector_term() for an example

Parameters

[in]	arg	the function argument arg(r,B,v)
[in]	B	magnetic field
[in]	v	the position of the nuclei (centers of the Gaussian) in A space

Constructor & Destructor Documentation

R_times_arg_div_R()

madness::R_times_arg_div_R::R_times_arg_div_R ( std::function< double(const coord_3d &r, const coord_3d &B, const coord_3d &v)> &  arg, const coord_3d &  B, const std::vector< coord_3d > &  vv, const double  radius  )

inline

References madness::max_of_x_1_smooth::compute_tightness(), radius, and tightness.

Member Function Documentation

operator()()

double madness::R_times_arg_div_R::operator() ( const coord_3d &  r ) const

inline

References arg, madness::max_of_x_1_smooth::compute_factor(), madness::cross(), madness::inner(), std::isnan(), MADNESS_ASSERT, madness::Vector< T, N >::normf(), radius, tightness, v, and vv.

Member Data Documentation

arg

std::function<double(const coord_3d& r, const coord_3d& B, const coord_3d& vv)>& madness::R_times_arg_div_R::arg

Referenced by operator()().

B

const coord_3d& madness::R_times_arg_div_R::B

radius

const double madness::R_times_arg_div_R::radius

Referenced by R_times_arg_div_R(), and operator()().

tightness

double madness::R_times_arg_div_R::tightness

Referenced by R_times_arg_div_R(), and operator()().

vv

const std::vector<coord_3d>& madness::R_times_arg_div_R::vv

Referenced by operator()().

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

• diamagneticpotentialfactor.cc