CheMPS2::TwoIndex Class Reference

#include <TwoIndex.h>

Public Member Functions
	TwoIndex (const int nGroup, const int *IrrepSizes)
	Constructor. More...
virtual	~TwoIndex ()
	Destructor.
void	Clear ()
	Set all one-body matrix elements to zero.
void	set (const int irrep, const int i, const int j, const double val)
	Set an element. More...
double	get (const int irrep, const int i, const int j) const
	Get an element. More...
void	save (const std::string name) const
	Save the TwoIndex object. More...
void	read (const std::string name)
	Load the TwoIndex object. More...

Detailed Description

TwoIndex class.

Author

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

Date

February 8, 2013

Container class for symmetric two-index tensors with Abelian point group symmetry (real character table; see Irreps.h): 1DMs and 1-particle matrix elements.

Definition at line 32 of file TwoIndex.h.

Constructor & Destructor Documentation

CheMPS2::TwoIndex::TwoIndex	(	const int	nGroup,
		const int *	IrrepSizes
	)

Constructor.

Parameters

nGroup	The symmetry group number (see Irreps.h)
IrrepSizes	Array with length the number of irreps of the specified group, containing the number of orbitals of that irrep

Definition at line 31 of file TwoIndex.cpp.

Member Function Documentation

double CheMPS2::TwoIndex::get	(	const int	irrep,
		const int	i,
		const int	j
	)		const

Get an element.

Parameters

irrep	The irrep number (see Irreps.h)
i	The first index (within the symmetry block)
j	The second index (within the symmetry block)

Returns

The value of the matrix element

Definition at line 71 of file TwoIndex.cpp.

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void CheMPS2::TwoIndex::read

(

const std::string

name

)

Load the TwoIndex object.

Parameters

name

filename

Definition at line 140 of file TwoIndex.cpp.

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void CheMPS2::TwoIndex::save

(

const std::string

name

)

const

Save the TwoIndex object.

Parameters

name

filename

Definition at line 78 of file TwoIndex.cpp.

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void CheMPS2::TwoIndex::set	(	const int	irrep,
		const int	i,
		const int	j,
		const double	val
	)

Set an element.

Parameters

irrep	The irrep number (see Irreps.h)
i	The first index (within the symmetry block)
j	The second index (within the symmetry block)
val	The value to which the element of the matrix should be set

Definition at line 64 of file TwoIndex.cpp.

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

• TwoIndex.h
• TwoIndex.cpp