#include <Tensor3RDM.h>

Inheritance diagram for CheMPS2::Tensor3RDM:

Collaboration diagram for CheMPS2::Tensor3RDM:

Public Member Functions
	Tensor3RDM (const int boundary, const int two_j1_in, const int two_j2, const int nelec, const int irrep, const bool prime_last, const SyBookkeeper *book)
	Constructor. More...

virtual	~Tensor3RDM ()
	Destructor.

int	get_two_j1 () const
	Get the intermediary spin coupling value of the Tensor3RDM. More...

int	get_two_j2 () const
	Get the spin value of the Tensor3RDM. More...

void	a1 (TensorOperator Sigma, TensorT denT, double *workmem)
	Make diagram a1. More...

void	b1 (TensorOperator Sigma, TensorT denT, double *workmem)
	Make diagram b1. More...

void	c1 (TensorOperator denF, TensorT denT, double *workmem)
	Make diagram c1. More...

void	d1 (TensorOperator denF, TensorT denT, double *workmem)
	Make diagram d1. More...

void	extra1 (TensorT *denT)
	Make diagram extra1. More...

void	extra2 (TensorL denL, TensorT denT, double *workmem)
	Make diagram extra2. More...

void	extra3 (TensorL denL, TensorT denT, double *workmem)
	Make diagram extra3. More...

void	extra4 (TensorL denL, TensorT denT, double *workmem)
	Make diagram extra4. More...

double	contract (Tensor3RDM *buddy) const
	Make the in-product of two Tensor3RDMs. More...

bool	get_prime_last () const
	Get whether the tensor convention is prime last. More...

Public Member Functions inherited from CheMPS2::TensorOperator
	TensorOperator (const int boundary_index, const int two_j, const int n_elec, const int n_irrep, const bool moving_right, const bool prime_last, const bool jw_phase, const SyBookkeeper bk_up, const SyBookkeeper bk_down)
	Constructor. More...

virtual	~TensorOperator ()
	Destructor.

int	gNKappa () const
	Get the number of symmetry blocks. More...

double *	gStorage ()
	Get the pointer to the storage. More...

int	gKappa (const int N1, const int TwoS1, const int I1, const int N2, const int TwoS2, const int I2) const
	Get the index corresponding to a certain tensor block. More...

int	gKappa2index (const int kappa) const
	Get the storage jump corresponding to a certain tensor block. More...

double *	gStorage (const int N1, const int TwoS1, const int I1, const int N2, const int TwoS2, const int I2)
	Get the pointer to the storage of a certain tensor block. More...

int	gIndex () const
	Get the boundary index. More...

int	get_2j () const
	Get twice the spin of the tensor operator. More...

int	get_nelec () const
	Get how many electrons there are more in the symmetry sector of the lower leg compared to the upper leg. More...

int	get_irrep () const
	Get the (real-valued abelian) point group irrep difference between the symmetry sectors of the lower and upper legs (see Irreps.h) More...

void	update (TensorOperator previous, TensorT mps_tensor_up, TensorT mps_tensor_down, double workmem)
	Clear and update. More...

void	daxpy (double alpha, TensorOperator *to_add)
	daxpy for TensorOperator More...

void	daxpy_transpose_tensorCD (const double alpha, TensorOperator *to_add)
	daxpy_transpose for C- and D-tensors (with special spin-dependent factors) More...

void	clear ()
	Set all storage variables to 0.0.

double	inproduct (TensorOperator *buddy, const char trans) const
	Make the in-product of two TensorOperator. More...

Additional Inherited Members
Protected Member Functions inherited from CheMPS2::TensorOperator
void	update_moving_right (const int ikappa, TensorOperator previous, TensorT mps_tensor_up, TensorT mps_tensor_down, double workmem)
	Update moving right. More...

void	update_moving_left (const int ikappa, TensorOperator previous, TensorT mps_tensor_up, TensorT mps_tensor_down, double workmem)
	Update moving left. More...

Protected Attributes inherited from CheMPS2::TensorOperator
const SyBookkeeper *	bk_up
	The bookkeeper of the upper MPS.

const SyBookkeeper *	bk_down
	The bookkeeper of the lower MPS.

int	two_j
	Twice the spin of the tensor operator.

int	n_elec
	How many electrons there are more in the symmetry sector of the lower leg compared to the upper leg.

int	n_irrep
	The (real-valued abelian) point group irrep difference between the symmetry sectors of the lower and upper legs (see Irreps.h)

bool	moving_right
	Whether or not moving right.

int *	sector_nelec_up
	The up particle number sector.

int *	sector_irrep_up
	The up spin symmetry sector.

int *	sector_spin_up
	The up spin symmetry sector.

int *	sector_spin_down
	The down spin symmetry sector (pointer points to sectorTwoS1 if two_j == 0)

bool	prime_last
	Convention in which the tensor operator is stored (see class information)

bool	jw_phase
	Whether or not to include a Jordan-Wigner phase due to the fermion anti-commutation relations.

Protected Attributes inherited from CheMPS2::Tensor
int	index
	Index of the Tensor object. For TensorT: a site index; for other tensors: a boundary index.

double *	storage
	The actual variables. Tensor block kappa begins at storage+kappa2index[kappa] and ends at storage+kappa2index[kappa+1].

int	nKappa
	Number of Tensor blocks.

int *	kappa2index
	kappa2index[kappa] indicates the start of tensor block kappa in storage. kappa2index[nKappa] gives the size of storage.

Detailed Description

Tensor3RDM class.

Author: Sebastian Wouters sebas.nosp@m.tian.nosp@m.woute.nosp@m.rs@g.nosp@m.mail..nosp@m.com

Date: November 18, 2015

The Tensor3RDM class contains the functions to calculate new renormalized operators for three second quantized operators.

Definition at line 34 of file Tensor3RDM.h.

Constructor & Destructor Documentation

CheMPS2::Tensor3RDM::Tensor3RDM	(	const int	boundary,
		const int	two_j1_in,
		const int	two_j2,
		const int	nelec,
		const int	irrep,
		const bool	prime_last,
		const SyBookkeeper *	book
	)

Constructor.

Parameters

boundary	The boundary index
two_j1_in	Twice the spin-value of the intermediary coupling of the first two second quantized operators
two_j2	Twice the spin-value of coupling of the three second quantized operators
nelec	How many electrons there are more in the symmetry sector of the lower leg compared to the upper leg
irrep	Direct product of irreps of the three second quantized operators
prime_last	Convention in which the tensor operator is stored (see class information)
book	The symmetry sector partitioning

Definition at line 29 of file Tensor3RDM.cpp.

Member Function Documentation

void CheMPS2::Tensor3RDM::a1	(	TensorOperator *	Sigma,
		TensorT *	denT,
		double *	workmem
	)

Make diagram a1.

Parameters

Sigma	The TensorS0 or TensorS1 to make diagram a1
denT	The TensorT to make diagram a1
workmem	Work memory

Definition at line 52 of file Tensor3RDM.cpp.

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void CheMPS2::Tensor3RDM::b1	(	TensorOperator *	Sigma,
		TensorT *	denT,
		double *	workmem
	)

Make diagram b1.

Parameters

Sigma	The TensorS0 or TensorS1 to make diagram b1
denT	The TensorT to make diagram b1
workmem	Work memory

Definition at line 128 of file Tensor3RDM.cpp.

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void CheMPS2::Tensor3RDM::c1	(	TensorOperator *	denF,
		TensorT *	denT,
		double *	workmem
	)

Make diagram c1.

Parameters

denF	The TensorF0 or TensorF1 to make diagram c1
denT	The TensorT to make diagram c1
workmem	Work memory

Definition at line 204 of file Tensor3RDM.cpp.

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double CheMPS2::Tensor3RDM::contract ( Tensor3RDM * buddy ) const

Make the in-product of two Tensor3RDMs.

Parameters

buddy The second tensor

Returns: The in-product

Definition at line 543 of file Tensor3RDM.cpp.

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void CheMPS2::Tensor3RDM::d1	(	TensorOperator *	denF,
		TensorT *	denT,
		double *	workmem
	)

Make diagram d1.

Parameters

denF	The TensorF0 or TensorF1 to make diagram d1
denT	The TensorT to make diagram d1
workmem	Work memory

Definition at line 280 of file Tensor3RDM.cpp.

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void CheMPS2::Tensor3RDM::extra1 ( TensorT * denT )

Make diagram extra1.

Parameters

denT	The TensorT to make diagram extra1

Definition at line 356 of file Tensor3RDM.cpp.

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void CheMPS2::Tensor3RDM::extra2	(	TensorL *	denL,
		TensorT *	denT,
		double *	workmem
	)

Make diagram extra2.

Parameters

denL	The TensorL to make diagram extra2
denT	The TensorT to make diagram extra2
workmem	Work memory

Definition at line 391 of file Tensor3RDM.cpp.

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void CheMPS2::Tensor3RDM::extra3	(	TensorL *	denL,
		TensorT *	denT,
		double *	workmem
	)

Make diagram extra3.

Parameters

denL	The TensorL to make diagram extra3
denT	The TensorT to make diagram extra3
workmem	Work memory

Definition at line 430 of file Tensor3RDM.cpp.

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void CheMPS2::Tensor3RDM::extra4	(	TensorL *	denL,
		TensorT *	denT,
		double *	workmem
	)

Make diagram extra4.

Parameters

denL	The TensorL to make diagram extra4
denT	The TensorT to make diagram extra4
workmem	Work memory

Definition at line 469 of file Tensor3RDM.cpp.

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bool CheMPS2::Tensor3RDM::get_prime_last ( ) const

Get whether the tensor convention is prime last.

Returns: Whether the tensor convention is prime last

Definition at line 50 of file Tensor3RDM.cpp.

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int CheMPS2::Tensor3RDM::get_two_j1 ( ) const

Get the intermediary spin coupling value of the Tensor3RDM.

Returns: Twice J1, the intermediary spin coupling value of the Tensor3RDM

Definition at line 46 of file Tensor3RDM.cpp.

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int CheMPS2::Tensor3RDM::get_two_j2 ( ) const

Get the spin value of the Tensor3RDM.

Returns: Twice J2, the spin value of the Tensor3RDM

Definition at line 48 of file Tensor3RDM.cpp.

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

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation