shammath::LatticeHCP< Tvec > Class Template Reference

utility for generating HCP crystal lattices More...

#include <shammath/include/shammath/crystalLattice.hpp>

Classes
class	Iterator
	Iterator utility to generate the lattice. More...
class	IteratorDiscontinuous
	Iterator utility to generate the lattice. More...

Public Types
using	Tscal = shambase::VecComponent<Tvec>

Static Public Member Functions
static constexpr Tvec	generator (Tscal dr, std::array< i32, dim > coord) noexcept
	generate a HCP lattice centered on (0,0,0)
static constexpr bool	can_make_periodic_box (std::array< i32, dim > coord_min, std::array< i32, dim > coord_max)
	check if the given lattice coordinates bounds can make a periodic box
static constexpr CoordRange< Tvec >	get_periodic_box (Tscal dr, std::array< i32, dim > coord_min, std::array< i32, dim > coord_max)
	Get the periodic box corresponding to integer lattice coordinates this function will throw if the coordinates asked cannot make a periodic lattice.
static constexpr std::pair< std::array< i32, dim >, std::array< i32, dim > >	get_box_index_bounds (Tscal dr, Tvec box_min, Tvec box_max)
static constexpr std::pair< std::array< i32, dim >, std::array< i32, dim > >	nearest_periodic_box_indices (std::array< i32, dim > coord_min, std::array< i32, dim > coord_max)
	get the nearest integer triplets bound that gives a periodic box
static std::tuple< Tvec, Tvec >	get_ideal_hcp_box (Tscal dr, std::tuple< Tvec, Tvec > box)

Static Public Attributes
static constexpr u32	dim = 3

Detailed Description

template<class Tvec>
class shammath::LatticeHCP< Tvec >

utility for generating HCP crystal lattices

Template Parameters

Tvec	position vector type

Definition at line 52 of file crystalLattice.hpp.

Member Typedef Documentation

Tscal

template<class Tvec>

using shammath::LatticeHCP< Tvec >::Tscal = shambase::VecComponent<Tvec>

Definition at line 59 of file crystalLattice.hpp.

Member Function Documentation

can_make_periodic_box()

template<class Tvec>

constexpr bool shammath::LatticeHCP< Tvec >::can_make_periodic_box ( std::array< i32, dim > coord_min, std::array< i32, dim > coord_max )

inlinestaticconstexpr

check if the given lattice coordinates bounds can make a periodic box

Parameters

coord_min	integer triplet for the minimal coordinates on the lattice
coord_max	integer triplet for the maximal coordinates on the lattice

Returns

true

false

Definition at line 90 of file crystalLattice.hpp.

generator()

template<class Tvec>

constexpr Tvec shammath::LatticeHCP< Tvec >::generator ( Tscal dr, std::array< i32, dim > coord )

inlinestaticconstexprnoexcept

generate a HCP lattice centered on (0,0,0)

Parameters

dr
coord

Returns

constexpr Tvec

Definition at line 68 of file crystalLattice.hpp.

get_box_index_bounds()

template<class Tvec>

constexpr std::pair< std::array< i32, dim >, std::array< i32, dim > > shammath::LatticeHCP< Tvec >::get_box_index_bounds ( Tscal dr, Tvec box_min, Tvec box_max )

inlinestaticconstexpr

Definition at line 140 of file crystalLattice.hpp.

get_ideal_hcp_box()

template<class Tvec>

std::tuple< Tvec, Tvec > shammath::LatticeHCP< Tvec >::get_ideal_hcp_box ( Tscal dr, std::tuple< Tvec, Tvec > box )

inlinestatic

Definition at line 387 of file crystalLattice.hpp.

get_periodic_box()

template<class Tvec>

constexpr CoordRange< Tvec > shammath::LatticeHCP< Tvec >::get_periodic_box ( Tscal dr, std::array< i32, dim > coord_min, std::array< i32, dim > coord_max )

inlinestaticconstexpr

Get the periodic box corresponding to integer lattice coordinates this function will throw if the coordinates asked cannot make a periodic lattice.

Parameters

dr	the particle spacing in the lattice
coord_min	integer triplet for the minimal coordinates on the lattice
coord_max	integer triplet for the maximal coordinates on the lattice

Returns

constexpr CoordRange<Tvec> the periodic box bounds

Definition at line 116 of file crystalLattice.hpp.

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nearest_periodic_box_indices()

template<class Tvec>

constexpr std::pair< std::array< i32, dim >, std::array< i32, dim > > shammath::LatticeHCP< Tvec >::nearest_periodic_box_indices ( std::array< i32, dim > coord_min, std::array< i32, dim > coord_max )

inlinestaticconstexpr

get the nearest integer triplets bound that gives a periodic box

Parameters

coord_min	integer triplet for the minimal coordinates on the lattice
coord_max	integer triplet for the maximal coordinates on the lattice

Returns

constexpr std::pair<std::array<i32, dim>, std::array<i32, dim>> the new bounds

Definition at line 173 of file crystalLattice.hpp.

Member Data Documentation

dim

template<class Tvec>

u32 shammath::LatticeHCP< Tvec >::dim = 3

staticconstexpr

Definition at line 54 of file crystalLattice.hpp.

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

• shammath/include/shammath/crystalLattice.hpp