[−][src]Struct bader::atoms::ReducedLattice

pub struct ReducedLattice {
    pub shift_matrix: Vec<Vec<usize>>,
    pub cartesian_shift_matrix: [[f64; 3]; 27],
    pub distance_matrix: [f64; 26],
    pub to_cartesian: [[f64; 3]; 3],
    pub to_fractional: [[f64; 3]; 3],
}

Stores the lll-reduced lattice.

Fields

shift_matrix: Vec<Vec<usize>>

The shifts required to move around the reduced basis.

cartesian_shift_matrix: [[f64; 3]; 27]

The cartesian representation of the shifts.

distance_matrix: [f64; 26]

The length of these shifts.

to_cartesian: [[f64; 3]; 3]

Transformation matrix for converting to cartesian coordinates.

to_fractional: [[f64; 3]; 3]

Transformation matrix for converting to fractional coordinates.

Implementations

impl ReducedLattice[src]

pub fn from_lattice(lattice: &Lattice) -> Self[src]

Creates a lll-reduced lattice from the cell lattice.

Auto Trait Implementations

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impl<T> Any for T where
    T: 'static + ?Sized, [src]

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    T: ?Sized, [src]

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impl<T> From<T> for T[src]

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    U: From<T>, [src]

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