#include <SyBookkeeper.h>

Public Member Functions
	SyBookkeeper (const Problem *Prob, const int D)
	Constructor. More...

	SyBookkeeper (const SyBookkeeper &tocopy)
	Copy constructor. More...

virtual	~SyBookkeeper ()
	Destructor.

const Problem *	gProb () const
	Get the problem. More...

int	gL () const
	Get the number of orbitals. More...

int	gIrrep (const int orbital) const
	Get an orbital irrep. More...

int	gTwoS () const
	Get twice the targeted spin. More...

int	gN () const
	Get the targeted particle number. More...

int	gIrrep () const
	Get the targeted irrep. More...

int	getNumberOfIrreps () const
	Get the total number of irreps. More...

int	gNmin (const int boundary) const
	Get the min. possible particle number for a certain boundary. More...

int	gNmax (const int boundary) const
	Get the max. possible particle number for a certain boundary. More...

int	gTwoSmin (const int boundary, const int N) const
	Get the minimum possible spin value for a certain boundary and particle number. More...

int	gTwoSmax (const int boundary, const int N) const
	Get the maximum possible spin value for a certain boundary and particle number. More...

int	gFCIdim (const int boundary, const int N, const int TwoS, const int irrep) const
	Get the FCI virtual dimensions ( bound by SYBK_dimensionCutoff ) More...

int	gCurrentDim (const int boundary, const int N, const int TwoS, const int irrep) const
	Get the current virtual dimensions. More...

bool	IsPossible () const
	Get whether the desired symmetry sector is possible. More...

void	SetDim (const int boundary, const int N, const int TwoS, const int irrep, const int value)
	Get the current virtual dimensions. More...

int	gMaxDimAtBound (const int boundary) const
	Get the maximum virtual dimension at a certain boundary. More...

int	gTotDimAtBound (const int boundary) const
	Get the total reduced virtual dimension at a certain boundary. More...

void	restart (const int start, const int stop, const int virtual_dim)
	Restart by setting the virtual dimensions from boundary start to boundary stop to FCI virtual dimensions based on the environment. More...

Detailed Description

SyBookkeeper class.

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

Date: February 14, 2013

The SyBookkeeper class keeps track of all the symmetry at the boundaries. This includes:

the FCI virtual dimensions per symmetry sector
an extra consistency check (next to the one in Problem.cpp) to check whether the desired symmetry in the Problem class is possible (non-zero FCI dimensions)
the current virtual dimensions per symmetry sector, so everyone can check the current dimensions here.

Definition at line 34 of file SyBookkeeper.h.

Constructor & Destructor Documentation

CheMPS2::SyBookkeeper::SyBookkeeper	(	const Problem *	Prob,
		const int	D
	)

Constructor.

Parameters

Prob	The problem to be solved
D	The initial number of reduced renormalized DMRG basis states

Definition at line 29 of file SyBookkeeper.cpp.

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CheMPS2::SyBookkeeper::SyBookkeeper ( const SyBookkeeper & tocopy )

Copy constructor.

Parameters

tocopy The SyBookkeeper to be copied

Definition at line 51 of file SyBookkeeper.cpp.

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Member Function Documentation

int CheMPS2::SyBookkeeper::gCurrentDim	(	const int	boundary,
		const int	N,
		const int	TwoS,
		const int	irrep
	)		const

Get the current virtual dimensions.

Parameters

boundary	The boundary index
N	The particle number
TwoS	Twice the spin sector
irrep	The irrep

Returns: The corresponding current virtual dimension

Definition at line 165 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::getNumberOfIrreps ( ) const

Get the total number of irreps.

Returns: The number of irreps

Definition at line 153 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gFCIdim	(	const int	boundary,
		const int	N,
		const int	TwoS,
		const int	irrep
	)		const

Get the FCI virtual dimensions ( bound by SYBK_dimensionCutoff )

Parameters

boundary	The boundary index
N	The particle number
TwoS	Twice the spin sector
irrep	The irrep

Returns: The corresponding FCI virtual dimension

Definition at line 163 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gIrrep ( const int orbital ) const

Get an orbital irrep.

Parameters

orbital The DMRG orbital index (because the Problem class is asked)

Returns: The irrep of the orbital

Definition at line 145 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gIrrep ( ) const

Get the targeted irrep.

Returns: The targeted irrep

Definition at line 151 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gL ( ) const

Get the number of orbitals.

Returns: The number of orbitals

Definition at line 143 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gMaxDimAtBound ( const int boundary ) const

Get the maximum virtual dimension at a certain boundary.

Parameters

boundary The boundary index

Returns: The maximum virtual dimension at the boundary

Definition at line 282 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gN ( ) const

Get the targeted particle number.

Returns: The targeted particle number

Definition at line 149 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gNmax ( const int boundary ) const

Get the max. possible particle number for a certain boundary.

Parameters

boundary The boundary index

Returns: Nmax[ bound ]

Definition at line 157 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gNmin ( const int boundary ) const

Get the min. possible particle number for a certain boundary.

Parameters

boundary The boundary index ( from 0 to L ( included ) )

Returns: Nmin[ bound ]

Definition at line 155 of file SyBookkeeper.cpp.

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const CheMPS2::Problem * CheMPS2::SyBookkeeper::gProb ( ) const

Get the problem.

Returns: The Problem of the SyBookkeeper

Definition at line 141 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gTotDimAtBound ( const int boundary ) const

Get the total reduced virtual dimension at a certain boundary.

Parameters

boundary The boundary index

Returns: The total reduced virtual dimension at the boundary

Definition at line 297 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gTwoS ( ) const

Get twice the targeted spin.

Returns: Twice the targeted spin

Definition at line 147 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gTwoSmax	(	const int	boundary,
		const int	N
	)		const

Get the maximum possible spin value for a certain boundary and particle number.

Parameters

boundary	The boundary index
N	The particle number

Returns: The corresponding maximum spin value

Definition at line 161 of file SyBookkeeper.cpp.

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int CheMPS2::SyBookkeeper::gTwoSmin	(	const int	boundary,
		const int	N
	)		const

Get the minimum possible spin value for a certain boundary and particle number.

Parameters

boundary	The boundary index
N	The particle number

Returns: The corresponding minimum spin value

Definition at line 159 of file SyBookkeeper.cpp.

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bool CheMPS2::SyBookkeeper::IsPossible ( ) const

Get whether the desired symmetry sector is possible.

Returns: Whether the desired symmetry sector is possible

Definition at line 319 of file SyBookkeeper.cpp.

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void CheMPS2::SyBookkeeper::restart	(	const int	start,
		const int	stop,
		const int	virtual_dim
	)

Restart by setting the virtual dimensions from boundary start to boundary stop to FCI virtual dimensions based on the environment.

Parameters

start	Start boundary index to create FCI virtual dimensions based on the environment
stop	Stop boundary index to create FCI virtual dimensions based on the environment
virtual_dim	The total virtual dimension to rescale the newly created symmetry sectors

Definition at line 311 of file SyBookkeeper.cpp.

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void CheMPS2::SyBookkeeper::SetDim	(	const int	boundary,
		const int	N,
		const int	TwoS,
		const int	irrep,
		const int	value
	)

Get the current virtual dimensions.

Parameters

boundary	The boundary index
N	The particle number
TwoS	Twice the spin sector
irrep	The irrep
value	The new dimension size

Definition at line 167 of file SyBookkeeper.cpp.

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

Public Member Functions

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation