q3::MillerIndexLookup Class Reference

#include <miller_index_lookup.hpp>

Public Member Functions
	MillerIndexLookup ()=default
void	build (const std::vector< GVector > &g_vectors)
int	find (const IntegerVector3D &miller) const
int	find (int miller_h, int miller_k, int miller_l) const
int	size () const

Detailed Description

Definition at line 29 of file miller_index_lookup.hpp.

Constructor & Destructor Documentation

MillerIndexLookup()

q3::MillerIndexLookup::MillerIndexLookup ( )

default

Member Function Documentation

build()

void q3::MillerIndexLookup::build ( const std::vector< GVector > &  g_vectors )

inline

Build the lookup table from a charge-density G-vector list: index i's Miller triple maps to i. g_vectors is typically GVectorsGrid::g_vectors() – the sphere every per-k-point plane-wave set and every augmentation-function table is indexed into.

Definition at line 39 of file miller_index_lookup.hpp.

References q3::IntegerVector3D::x, q3::IntegerVector3D::y, and q3::IntegerVector3D::z.

Referenced by q3::PlanewaveWannierCapture::PlanewaveWannierCapture().

find() [1/2]

int q3::MillerIndexLookup::find ( const IntegerVector3D &  miller ) const

inline

The global G-vector index for the given Miller triple, or -1 if it falls outside the charge-density sphere this lookup was built from. A miss is a legitimate outcome (a k+b plane wave can fall just outside the sphere at the zone boundary) – callers count misses rather than treat them as errors.

Definition at line 65 of file miller_index_lookup.hpp.

References find(), q3::IntegerVector3D::x, q3::IntegerVector3D::y, and q3::IntegerVector3D::z.

Referenced by q3::PlanewaveBlochOverlapCalculator::compute(), and find().

find() [2/2]

int q3::MillerIndexLookup::find ( int  miller_h, int  miller_k, int  miller_l  ) const

inline

Definition at line 69 of file miller_index_lookup.hpp.

size()

int q3::MillerIndexLookup::size ( ) const

inline

Definition at line 78 of file miller_index_lookup.hpp.

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

• src/layer_3_representation/basis/planewave/internal/miller_index_lookup.hpp