#include <local_orbital.hpp>

Inheritance diagram for q3::LocalOrbitalQuantumStateInterpolator:

Public Member Functions
	LocalOrbitalQuantumStateInterpolator (LocalOrbitalHamiltonian hamiltonian, std::string method_description="local-orbital")

std::string	description () const override
	One line for logs: the method and the size of the model.

std::map< std::string, Real >	diagnostics () const override

std::vector< Real >	eigenvalues_at (const Vector3D &kpoint) const override
	Ascending eigenvalues in Rydberg at one k-point in crystal coordinates.

const LocalOrbitalHamiltonian &	hamiltonian () const
	The model itself, for diagnostics (decay of H(R), the R set) and tests.

int	number_of_bands () const override
	Number of eigenvalues returned per k-point.

Public Member Functions inherited from q3::QuantumStateInterpolator
virtual	~QuantumStateInterpolator ()=default

Static Public Attributes
static constexpr const char *	TOTAL_BLOCH_SUM_WEIGHT = "total_bloch_sum_weight"
	The name that diagnostic goes by, which a results file gives a key of its own.

Detailed Description

Definition at line 40 of file local_orbital.hpp.

Constructor & Destructor Documentation

◆ LocalOrbitalQuantumStateInterpolator()

q3::LocalOrbitalQuantumStateInterpolator::LocalOrbitalQuantumStateInterpolator	(	LocalOrbitalHamiltonian	hamiltonian,
		std::string	method_description = `"local-orbital"`
	)

inlineexplicit

Definition at line 42 of file local_orbital.hpp.

Member Function Documentation

◆ description()

std::string q3::LocalOrbitalQuantumStateInterpolator::description ( ) const

inlineoverridevirtual

One line for logs: the method and the size of the model.

Implements q3::QuantumStateInterpolator.

Definition at line 77 of file local_orbital.hpp.

References q3::LocalOrbitalHamiltonian::lattice_vectors(), and q3::LocalOrbitalHamiltonian::number_of_orbitals().

◆ diagnostics()

std::map< std::string, Real > q3::LocalOrbitalQuantumStateInterpolator::diagnostics ( ) const

inlineoverridevirtual

The total Bloch-sum weight. For a Hamiltonian from a k -> R transform it must equal the number of k-points the transform ran over (the Wigner-Seitz degeneracy identity), which is the one check on the model a consumer can make without knowing how it was built.

Reimplemented from q3::QuantumStateInterpolator.

Definition at line 89 of file local_orbital.hpp.

References q3::LocalOrbitalHamiltonian::lattice_vectors(), and TOTAL_BLOCH_SUM_WEIGHT.