ArrayBraket is a lightweight implementation of Braket concept. More...

#include <braket.h>

Public Types
typedef ArrayBraket< BFS, NP >	this_type
	This type.

typedef ArrayBraket< typename BFS::iter_type, NP >	iter_type
	The iterator through ArrayBraket.

typedef BFS	bfs_type

typedef bfs_type &	bfs_ref

typedef const BFS &	bfs_cref

Public Member Functions
	ArrayBraket ()
	This one is a very dangerous constructor – do not to use it if at all possible.

	ArrayBraket (const BFS *braket)

	ArrayBraket (const std::vector< std::vector< BFS > > &braket)

bool	operator== (const this_type &) const
	Comparison function.

bfs_cref	member (unsigned int p, unsigned int i=0) const
	Returns cref to the i-th function for particle p.

bfs_ref	member (unsigned int p, unsigned int i=0)
	Returns ref to the i-th function for particle p.

SubIterator *	member_subiter (unsigned int p, unsigned int i=0) const
	Returns pointer to the SubIterator for i-th BFS of particle p.

void	set_member (const BFS &, unsigned int p, unsigned int i=0)
	Sets i-th function for particle p.

void	set_member (const ConstructablePolymorphically &, unsigned int p, unsigned int i=0)
	Sets i-th function for particle p (does a dynamic cast inside)

unsigned int	num_members (unsigned int p) const
	Returns the number of BFS for particle p.

unsigned int	num_part () const
	Returns the number of particles.

LIBINT2_UINT_LEAST64	key () const
	Implements Hashable::key()

LIBINT2_UINT_LEAST64	max_key () const
	key lies in range [0,max_key())

unsigned int	size () const

Static Public Attributes
static constexpr auto	num_particles = NP
	The total # of particles.

static constexpr auto	num_bf = NP
	The total # of basis functions = # of particles (since 1 bf / particle)

Detailed Description

template<class BFS, unsigned int NP>
class libint2::ArrayBraket< BFS, NP >

ArrayBraket is a lightweight implementation of Braket concept.

BFS specifies the BasisFunctionSet. NP is the number of particles (>= 1). ArrayBraket assumes 1 BFS per particle.

Constructor & Destructor Documentation

template<class BFS , unsigned int NP>

libint2::ArrayBraket< BFS, NP >::ArrayBraket ( )

This one is a very dangerous constructor – do not to use it if at all possible.

Provided only for compatibility for generic subiterator algorithms

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