mpqc::utility::TRange1Engine Class Reference

Documentation

Factory producing TiledRange1 objects for various orbital ranges.

Public Member Functions
	TRange1Engine ()=default
	TRange1Engine (const std::size_t nocc, const std::size_t nobs, const std::size_t occ_block_size, const std::size_t uocc_block_size, const std::size_t nfrozen_occ=0ul, const std::size_t nfrozen_uocc=0ul)
const TA::TiledRange1 &	frz_occ_tr1 () const
	get TiledRange1 for frozen occupied space More...
const TA::TiledRange1 &	act_occ_tr1 () const
	get TiledRange1 for active occupied space More...
const TA::TiledRange1 &	occ_tr1 () const
	get TiledRange1 for occupied space More...
const TA::TiledRange1 &	frz_uocc_tr1 () const
	get TiledRange1 for frozen unoccupied space More...
const TA::TiledRange1 &	act_uocc_tr1 () const
	get TiledRange1 for active unoccupied space More...
const TA::TiledRange1 &	obs_tr1 () const
	get TiledRange1 for all obs space More...
std::size_t	n_occ () const
	get the number of occupied orbitals More...
std::size_t	n_act_occ () const
	get the number of active occ orbitals More...
std::size_t	n_uocc () const
	get the number of unoccupied orbitals More...
std::size_t	n_act_uocc () const
	get the number of active unoccupied orbitals More...
std::size_t	n_all () const
std::size_t	n_frz_occ () const
std::size_t	occ_block_size () const
std::size_t	uocc_block_size () const
std::size_t	n_blk_act_occ () const
	get the number of blocks in active occupied range More...
std::size_t	n_blk_act_uocc () const
	get the number of blocks in active unoccupied range More...

Constructor & Destructor Documentation

TRange1Engine() [1/2]

mpqc::utility::TRange1Engine::TRange1Engine ( )

default

TRange1Engine() [2/2]

mpqc::utility::TRange1Engine::TRange1Engine	(	const std::size_t	nocc,
		const std::size_t	nobs,
		const std::size_t	occ_block_size,
		const std::size_t	uocc_block_size,
		const std::size_t	nfrozen_occ = 0ul,
		const std::size_t	nfrozen_uocc = 0ul
	)

Member Function Documentation

act_occ_tr1()

const TA::TiledRange1& mpqc::utility::TRange1Engine::act_occ_tr1 ( ) const

inline

get TiledRange1 for active occupied space

act_uocc_tr1()

const TA::TiledRange1& mpqc::utility::TRange1Engine::act_uocc_tr1 ( ) const

inline

get TiledRange1 for active unoccupied space

frz_occ_tr1()

const TA::TiledRange1& mpqc::utility::TRange1Engine::frz_occ_tr1 ( ) const

inline

get TiledRange1 for frozen occupied space

frz_uocc_tr1()

const TA::TiledRange1& mpqc::utility::TRange1Engine::frz_uocc_tr1 ( ) const

inline

get TiledRange1 for frozen unoccupied space

n_act_occ()

std::size_t mpqc::utility::TRange1Engine::n_act_occ ( ) const

inline

get the number of active occ orbitals

n_act_uocc()

std::size_t mpqc::utility::TRange1Engine::n_act_uocc ( ) const

inline

get the number of active unoccupied orbitals

n_all()

std::size_t mpqc::utility::TRange1Engine::n_all ( ) const

inline

n_blk_act_occ()

std::size_t mpqc::utility::TRange1Engine::n_blk_act_occ ( ) const

inline

get the number of blocks in active occupied range

n_blk_act_uocc()

std::size_t mpqc::utility::TRange1Engine::n_blk_act_uocc ( ) const

inline

get the number of blocks in active unoccupied range

n_frz_occ()

std::size_t mpqc::utility::TRange1Engine::n_frz_occ ( ) const

inline

Returns

the number of frozen core orbitals

n_occ()

std::size_t mpqc::utility::TRange1Engine::n_occ ( ) const

inline

get the number of occupied orbitals

n_uocc()

std::size_t mpqc::utility::TRange1Engine::n_uocc ( ) const

inline

get the number of unoccupied orbitals

obs_tr1()

const TA::TiledRange1& mpqc::utility::TRange1Engine::obs_tr1 ( ) const

inline

get TiledRange1 for all obs space

occ_block_size()

std::size_t mpqc::utility::TRange1Engine::occ_block_size ( ) const

inline

occ_tr1()

const TA::TiledRange1& mpqc::utility::TRange1Engine::occ_tr1 ( ) const

inline

get TiledRange1 for occupied space

uocc_block_size()

std::size_t mpqc::utility::TRange1Engine::uocc_block_size ( ) const

inline

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

• mpqc/chemistry/qc/lcao/expression/trange1_engine.h
• mpqc/chemistry/qc/lcao/expression/trange1_engine.cpp