#include <composite_product_op.h>

Collaboration diagram for madness::composite_term< T, NDIM >:

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Public Types
using	FL = Function<T, LDIM>
using	FN = Function<T, NDIM>

Public Attributes
double	coeff = 1.0
FN	extra
FL	factor1
	single LDIM factor per particle (uninitialized = skip)
FL	factor2
FN	ket
	NDIM ket factor. If uninitialized, the term ket is Σ_k p1[k] ⊗ p2[k].
std::vector< FL >	p1
	parallel vectors forming the ket as a sum of hartree products (p1.size() == p2.size())
std::vector< FL >	p2

Static Public Attributes
static constexpr std::size_t	LDIM = NDIM / 2

Detailed Description

template<typename T, std::size_t NDIM>
struct madness::composite_term< T, NDIM >

One term of a composite product: ket(1,2) * factor1(1) * factor2(2) * extra(1,2)

The ket is either an explicit NDIM Function (ket) or a low-rank sum of hartree products ket(1,2) = Σ_k p1[k](1) ⊗ p2[k](2). Provide ket or (p1, p2); not both.

Member Typedef Documentation

◆ FL

template<typename T, std::size_t NDIM>

using madness::composite_term< T, NDIM >::FL = Function<T, LDIM>

◆ FN

template<typename T, std::size_t NDIM>

using madness::composite_term< T, NDIM >::FN = Function<T, NDIM>

Member Data Documentation

◆ coeff

template<typename T, std::size_t NDIM>

double madness::composite_term< T, NDIM >::coeff = 1.0

scalar prefactor applied to the entire product. Used by the DSL to fold scaled subtrees (α * f) into a single term without an explicit scalar Function literal.

Referenced by madness::detail::make_term_impl().

◆ extra

template<typename T, std::size_t NDIM>

FN madness::composite_term< T, NDIM >::extra

optional single NDIM extra factor (e.g. an on-demand ERI). Multiplied into the chain in function mode; ignored in inner mode (use the global bra instead).

Referenced by madness::detail::make_term_impl().