mpqc::lcao::cc::ReduceBase< Tile, Policy > Struct Template Reference

Documentation

template<typename Tile, typename Policy>
struct mpqc::lcao::cc::ReduceBase< Tile, Policy >

ReduceBase class: Base class to reduce CCSD(T) perturbation expressions

Public Types
typedef double	result_type
typedef Tile	argument_type

Public Member Functions
	ReduceBase (std::shared_ptr< const Eigen::VectorXd > vec, std::size_t n_occ, std::size_t n_frozen, std::array< std::size_t, 6 > offset)
	ReduceBase (ReduceBase const &)=default
	Shallow copy operator. More...
result_type	operator() () const
result_type	operator() (result_type const &t) const
void	operator() (result_type &me, result_type const &other) const

Public Attributes
std::shared_ptr< const Eigen::VectorXd >	vec_
std::size_t	n_occ_
std::size_t	n_frozen_
std::array< std::size_t, 6 >	offset_

Member Typedef Documentation

argument_type

template<typename Tile , typename Policy >

typedef Tile mpqc::lcao::cc::ReduceBase< Tile, Policy >::argument_type

result_type

template<typename Tile , typename Policy >

typedef double mpqc::lcao::cc::ReduceBase< Tile, Policy >::result_type

Constructor & Destructor Documentation

ReduceBase() [1/2]

template<typename Tile , typename Policy >

mpqc::lcao::cc::ReduceBase< Tile, Policy >::ReduceBase ( std::shared_ptr< const Eigen::VectorXd >  vec, std::size_t  n_occ, std::size_t  n_frozen, std::array< std::size_t, 6 >  offset  )

inline

Reduce base builder function

Parameters

[in]	vec	eigen vectorXd contains the diagonal elements of the fock matrix (i.e. values for D)
[in]	n_occ	number of active occupied orbital elemnts
[in]	n_frozen	number of frozen occupied orbitals
[in]	offset	6 dimensional array which provides the blocking offsets for each index

ReduceBase() [2/2]

template<typename Tile , typename Policy >

mpqc::lcao::cc::ReduceBase< Tile, Policy >::ReduceBase ( ReduceBase< Tile, Policy > const &  )

default

Shallow copy operator.

Member Function Documentation

operator()() [1/3]

template<typename Tile , typename Policy >

result_type mpqc::lcao::cc::ReduceBase< Tile, Policy >::operator() ( ) const

inline

operator()() [2/3]

template<typename Tile , typename Policy >

void mpqc::lcao::cc::ReduceBase< Tile, Policy >::operator() ( result_type &  me, result_type const &  other  ) const

inline

Operator to compute the sum of two numbers (maybe should just be virtual function) sum the right hand value into the left hand value i.e. me = me + other

Parameters

[in,out]

me

the sum of the values other@param other the provided numbers

operator()() [3/3]

template<typename Tile , typename Policy >

result_type mpqc::lcao::cc::ReduceBase< Tile, Policy >::operator() ( result_type const &  t ) const

inline

Member Data Documentation

n_frozen_

template<typename Tile , typename Policy >

std::size_t mpqc::lcao::cc::ReduceBase< Tile, Policy >::n_frozen_

n_occ_

template<typename Tile , typename Policy >

std::size_t mpqc::lcao::cc::ReduceBase< Tile, Policy >::n_occ_

offset_

template<typename Tile , typename Policy >

std::array<std::size_t, 6> mpqc::lcao::cc::ReduceBase< Tile, Policy >::offset_

vec_

template<typename Tile , typename Policy >

std::shared_ptr<const Eigen::VectorXd> mpqc::lcao::cc::ReduceBase< Tile, Policy >::vec_

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

• mpqc/chemistry/qc/lcao/cc/pt/expression_reducer.h