mpqc::lcao::Integrals< RefEngine > Class Template Reference

Wraps an MPQC integral engine (e.g. More...

#include <mpqc/integrals/integrals.hpp>

Public Types
typedef TensorRef< const double, 2, TensorRowMajor >	Tensor2
typedef TensorRef< const double, 3, TensorRowMajor >	Tensor3
typedef TensorRef< const double, 4, TensorRowMajor >	Tensor4

Public Member Functions
	Integrals (RefEngine engineptr)
	Constructor for Integrals. More...
RefEngine &	engine ()
Tensor2	operator() (Shell p, Shell q)
	Calls the MPQC integral object on shells p and q and returns a TensorRef holding the integral buffer.
Tensor3	operator() (Shell p, Shell q, Shell r)
Tensor4	operator() (Shell p, Shell q, Shell r, Shell s)

Detailed Description

template<class RefEngine>
class mpqc::lcao::Integrals< RefEngine >

Wraps an MPQC integral engine (e.g.

sc::TwoBodyInt)

Constructor & Destructor Documentation

Integrals()

template<class RefEngine >

mpqc::lcao::Integrals< RefEngine >::Integrals ( RefEngine  engineptr )

inlineexplicit

Constructor for Integrals.

Parameters

engineptr

is a sc::Ref to an MPQC integral engine

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

• src/lib/mpqc/integrals/integrals.hpp