Scine::Sparrow::OrderedInput< restrictedness > Class Template Reference

Ordered input for the TDDFTB eigenvalue solver. Contains quantities in increasing energetic order. More...

#include <OrderedInput.h>

Inheritance diagram for Scine::Sparrow::OrderedInput< restrictedness >:

Collaboration diagram for Scine::Sparrow::OrderedInput< restrictedness >:

Public Types
using	Base = typename std::conditional< restrictedness==Utils::Reference::Restricted, detail::RestrictedBase, detail::UnrestrictedBase >::type

Public Member Functions
	OrderedInput (const Utils::SpinAdaptedContainer< restrictedness, Eigen::VectorXd > &energyDifferenceVector, const Utils::SpinAdaptedContainer< restrictedness, std::vector< Utils::Excitation >> &excitations, const Eigen::MatrixXd &transitionCharges, const std::vector< int > &orderMap)
auto	energyDifferences () const -> const Eigen::VectorXd &
auto	energyDifferences () -> Eigen::VectorXd &
auto	excitations () const -> const std::vector< Utils::Excitation > &
auto	excitations () -> std::vector< Utils::Excitation > &
auto	transitionCharges () const -> const Eigen::MatrixXd &
auto	transitionCharges () -> Eigen::MatrixXd &

Detailed Description

template<Utils::Reference restrictedness>
class Scine::Sparrow::OrderedInput< restrictedness >

Ordered input for the TDDFTB eigenvalue solver. Contains quantities in increasing energetic order.

Template Parameters

restrictedness

Decides whether a restricted or unrestricted reference calculation was used. Note: all quantities are sorted in increasing energy order. Note on conditional inheritance: std::conditional<SomeBool, A, B>::type gives A if SomeBool is true, B otherwise. So, the class derives from the (empty) detail::RestrictedBase struct if restrictedness is Restricted, and from the struct providing the isBeta member if restrictedness is Unrestricted.

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

• src/Sparrow/Sparrow/Implementations/Dftb/TimeDependent/LinearResponse/OrderedInput.h