#include <RTransformation.hpp>

Inheritance diagram for GQCP::RTransformation< _Scalar >:

Collaboration diagram for GQCP::RTransformation< _Scalar >:

Public Types
using	Scalar = _Scalar

Public Types inherited from GQCP::SimpleTransformation< _Scalar, RTransformation< _Scalar > >
using	Scalar = _Scalar

using	DerivedTransformation = RTransformation< _Scalar >

using	Self = SimpleTransformation< Scalar, DerivedTransformation >

using	JacobiRotationType = JacobiRotation

using	OrbitalRotationGeneratorType = typename OrbitalRotationGeneratorTraits< DerivedTransformation >::OrbitalRotationGenerators

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

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

Additional Inherited Members
Public Member Functions inherited from GQCP::SimpleTransformation< _Scalar, RTransformation< _Scalar > >
	SimpleTransformation (const SquareMatrix< Scalar > &T)

	SimpleTransformation (const OrbitalRotationGeneratorType &kappa)

size_t	numberOfOrbitals () const

size_t	dimension () const

const SquareMatrix< Scalar > &	matrix () const

DerivedTransformation	adjoint () const

DerivedTransformation	inverse () const

bool	isUnitary (const double threshold=1.0e-12) const

DerivedTransformation	transformed (const DerivedTransformation &T) const override

DerivedTransformation	rotated (const JacobiRotationType &jacobi_rotation) 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::JacobiRotatable< T >
virtual T	rotated (const JacobiRotationType &jacobi_rotation) const =0

void	rotate (const JacobiRotationType &jacobi_rotation)

Static Public Member Functions inherited from GQCP::SimpleTransformation< _Scalar, RTransformation< _Scalar > >
static DerivedTransformation	FromJacobi (const JacobiRotation &jacobi_rotation, const size_t dim)

static DerivedTransformation	Identity (const size_t dim)

static DerivedTransformation	Random (const size_t dim)

static DerivedTransformation	RandomUnitary (const size_t dim)

static DerivedTransformation	Zero (const size_t dim)

Protected Attributes inherited from GQCP::SimpleTransformation< _Scalar, RTransformation< _Scalar > >
SquareMatrix< Scalar >	T

Detailed Description

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

A 'restricted' basis transformation, i.e. a spin-orbital basis transformation where the transformation is applied equally to the alpha- and beta-spin-orbitals.

In general, we adopt the convention outlined in (https://gqcg-res.github.io/knowdes/spinor-transformations.html), where the new orbitals' coefficients can be found in the respective column of the related transformation matrix.

Template Parameters

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

Member Typedef Documentation

◆ Scalar

template<typename _Scalar >

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

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

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

Public Types

Additional Inherited Members

Detailed Description

Member Typedef Documentation

◆ Scalar