Scine::Molassembler::Shapes::Data::CappedSquareAntiprism Struct Reference

Capped square antiprism shape, spherized J10 solid in C4v. More...

#include <Data.h>

Static Public Member Functions
static constexpr double	angleFunction (const unsigned a, const unsigned b)

Static Public Attributes
static constexpr Shape	shape = Shape::CappedSquareAntiprism
static constexpr PointGroup	pointGroup = PointGroup::C4v
static constexpr unsigned	size = 9
static constexpr char	stringName [] = "capped square antiprism"
static constexpr std::array < Temple::Vector, 9 >	coordinates
static constexpr auto	angleLookupTable
static constexpr std::array < std::array< unsigned, 9 >, 1 >	rotations
static constexpr std::array < std::array< unsigned, 4 >, 2 >	tetrahedra
static constexpr std::array < unsigned, 9 >	mirror {{0, 1, 3, 2, 6, 7, 4, 5, 8}}

Detailed Description

Capped square antiprism shape, spherized J10 solid in C4v.

Coordinates minimized to C4v local minimum of Thomson potential

Field Documentation

constexpr auto Scine::Molassembler::Shapes::Data::CappedSquareAntiprism::angleLookupTable

static

Initial value:

= Temple::makeUpperTriangularMatrix(
    Detail::makeArray<size>(coordinates)
  )

constexpr std::array<Temple::Vector, 9> Scine::Molassembler::Shapes::Data::CappedSquareAntiprism::coordinates

static

Initial value:

{{
    { -0.000000,  0.932111,  0.362172},
    { -0.000000, -0.932111,  0.362172},
    {  0.932111, -0.000000,  0.362172},
    { -0.932111,  0.000000,  0.362172},
    {  0.559626,  0.559626, -0.611258},
    {  0.559626, -0.559626, -0.611258},
    { -0.559626,  0.559626, -0.611258},
    { -0.559626, -0.559626, -0.611258},
    {  0.000000,  0.000000,  1.000000}
  }}

constexpr std::array< std::array<unsigned, 9>, 1 > Scine::Molassembler::Shapes::Data::CappedSquareAntiprism::rotations

static

Initial value:

{{
    {2, 3, 1, 0, 5, 7, 4, 6, 8}
  }}

constexpr std::array< std::array<unsigned, 4>, 2 > Scine::Molassembler::Shapes::Data::CappedSquareAntiprism::tetrahedra

static

Initial value:

{{
    {6, 3, 0, 4},
    {7, 5, 1, 2}
  }}

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

• Molassembler/Shapes/constexpr/Data.h