#include <UTransformation.hpp>

Inheritance diagram for GQCP::UTransformation< _Scalar >:

Collaboration diagram for GQCP::UTransformation< _Scalar >:

Public Types
using	Scalar = _Scalar

using	Transformation = UTransformation< Scalar >

using	Self = UTransformation< Scalar >

using	ComponentType = typename SpinResolvedBase< UTransformationComponent< Scalar >, Self >::Of

Public Types inherited from GQCP::SpinResolvedBase< UTransformationComponent< _Scalar >, UTransformation< _Scalar > >
using	Of = UTransformationComponent< _Scalar >

using	Derived = UTransformation< _Scalar >

using	Self = SpinResolvedBase< Of, Derived >

Public Types inherited from GQCP::SpinResolvedBasisTransformable< UTransformation< _Scalar > >
using	Transformation = typename BasisTransformableTraits< UTransformation< _Scalar > >::Transformation

Public Types inherited from GQCP::BasisTransformable< Type >
using	Transformation = typename BasisTransformableTraits< Type >::Transformation

Public Types inherited from GQCP::SpinResolvedJacobiRotatable< UTransformation< _Scalar > >
using	JacobiRotationType = UJacobiRotation

Public Types inherited from GQCP::JacobiRotatable< T >
using	JacobiRotationType = typename JacobiRotatableTraits< T >::JacobiRotationType

Public Member Functions
bool	isUnitary (const double threshold) const

UTransformation< Scalar >	inverse () const

Public Member Functions inherited from GQCP::SpinResolvedBase< UTransformationComponent< _Scalar >, UTransformation< _Scalar > >
	SpinResolvedBase (const Of &alpha, const Of &beta)

	SpinResolvedBase (const std::vector< Of > &both)

	SpinResolvedBase (const std::array< Of, 2 > &both)

	SpinResolvedBase (const std::initializer_list< Of > &both)

const Of &	alpha () const

Of &	alpha ()

const Of &	beta () const

Of &	beta ()

const Of &	component (const Spin sigma) const

Of &	component (const Spin sigma)

Public Member Functions inherited from GQCP::SpinResolvedBasisTransformable< UTransformation< _Scalar > >
UTransformation< _Scalar >	transformed (const Transformation &T) const override

Public Member Functions inherited from GQCP::BasisTransformable< Type >
virtual Type	transformed (const Transformation &T) const =0

virtual void	transform (const Transformation &T)

virtual Type	rotated (const Transformation &U) const

void	rotate (const Transformation &U)

Public Member Functions inherited from GQCP::SpinResolvedJacobiRotatable< UTransformation< _Scalar > >
UTransformation< _Scalar >	rotated (const JacobiRotationType &jacobi_rotation) const override

Public Member Functions inherited from GQCP::JacobiRotatable< T >
virtual T	rotated (const JacobiRotationType &jacobi_rotation) const =0

void	rotate (const JacobiRotationType &jacobi_rotation)

Static Public Member Functions
static UTransformation< Scalar >	FromRestricted (const RTransformation< Scalar > &T)

static UTransformation< Scalar >	Identity (const size_t dim_alpha, const size_t dim_beta)

static UTransformation< Scalar >	Identity (const size_t dim)

static UTransformation< Scalar >	Random (const size_t dim)

static UTransformation< Scalar >	RandomUnitary (const size_t dim)

Static Public Member Functions inherited from GQCP::SpinResolvedBase< UTransformationComponent< _Scalar >, UTransformation< _Scalar > >
static Derived	FromEqual (const Of &equal)

Detailed Description

template<typename _Scalar>
class GQCP::UTransformation< _Scalar >

A type that encapsulates transformation matrices for the alpha- and beta-parts of spin-orbital bases.

Template Parameters

_Scalar The scalar type used for a transformation coefficient: real or complex.

Member Typedef Documentation

◆ ComponentType

template<typename _Scalar >

using GQCP::UTransformation< _Scalar >::ComponentType = typename SpinResolvedBase<UTransformationComponent<Scalar>, Self>::Of

◆ Scalar

template<typename _Scalar >

using GQCP::UTransformation< _Scalar >::Scalar = _Scalar

◆ Self

template<typename _Scalar >

using GQCP::UTransformation< _Scalar >::Self = UTransformation<Scalar>

◆ Transformation

template<typename _Scalar >

using GQCP::UTransformation< _Scalar >::Transformation = UTransformation<Scalar>

Member Function Documentation

◆ FromRestricted()

template<typename _Scalar >

static UTransformation< Scalar > GQCP::UTransformation< _Scalar >::FromRestricted ( const RTransformation< Scalar > & T )

inlinestatic

Create an UTransformation from an RTransformation, leading to transformations for both spin components that are equal.

Parameters

T	The transformation that is equal for both the alpha and the beta spin-orbitals.

Returns: A UTransformation corresponding to the given RTransformation.

◆ Identity() [1/2]

template<typename _Scalar >

static UTransformation< Scalar > GQCP::UTransformation< _Scalar >::Identity ( const size_t dim )

inlinestatic

Create an identity UTransformation.

Parameters

dim	The dimension of the alpha and beta spin-orbitals.

Returns: An identity UTransformation.

◆ Identity() [2/2]

template<typename _Scalar >

static UTransformation< Scalar > GQCP::UTransformation< _Scalar >::Identity	(	const size_t	dim_alpha,
		const size_t	dim_beta
	)

inlinestatic

Create an identity UTransformation.

Parameters

dim_alpha	The number of alpha spin-orbitals.
dim_beta	The number of beta spin-orbitals.

Returns: An identity UTransformation.

◆ inverse()

template<typename _Scalar >

UTransformation< Scalar > GQCP::UTransformation< _Scalar >::inverse ( ) const

inline

Returns: The inverse of this transformation.

◆ isUnitary()

template<typename _Scalar >

bool GQCP::UTransformation< _Scalar >::isUnitary ( const double threshold ) const

inline

Parameters

threshold The threshold used for checking unitarity.

Returns: If this transformation matrix is considered to be unitary, within the given treshold.

◆ Random()

template<typename _Scalar >

static UTransformation< Scalar > GQCP::UTransformation< _Scalar >::Random ( const size_t dim )

inlinestatic

Create a random UTransformation.

Parameters

dim	The number of alpha or beta spin-orbitals (equal).

Returns: A random UTransformation.

◆ RandomUnitary()

template<typename _Scalar >

static UTransformation< Scalar > GQCP::UTransformation< _Scalar >::RandomUnitary ( const size_t dim )

inlinestatic

Create a random unitary UTransformation.

Parameters

dim	The number of alpha or beta spin-orbitals (equal).

Returns: A random unitary UTransformation.

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

/__w/GQCP/GQCP/gqcp/include/Basis/Transformations/UTransformation.hpp

Public Types

Public Member Functions

Static Public Member Functions

Detailed Description

Member Typedef Documentation

◆ ComponentType

◆ Scalar

◆ Self

◆ Transformation

Member Function Documentation

◆ FromRestricted()

◆ Identity() [1/2]

◆ Identity() [2/2]

◆ inverse()

◆ isUnitary()

◆ Random()

◆ RandomUnitary()