Struct ShellRef 

pub struct ShellRef<'a> {
    pub center: Vec3,
    pub l: usize,
    pub exps: &'a [f64],
    pub coeffs: &'a [f64],
}

A contracted Cartesian shell as seen by the HGP engine: its centre, angular momentum, and primitive (exponent, effective-coefficient) data. The coefficients are the driver’s effective coefficients d_i · N(α_i, l) — the engine itself works on un-normalised monomials and only multiplies the four coefficients into the contracted accumulator.

Fields

center: Vec3

Shell centre (bohr).

l: usize

Angular momentum.

exps: &'a [f64]

Primitive exponents.

coeffs: &'a [f64]

Effective contraction coefficients, aligned with exps.

Trait Implementations

impl<'a> Clone for ShellRef<'a>

fn clone(&self) -> ShellRef<'a>

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl<'a> Copy for ShellRef<'a>

impl<'a> Debug for ShellRef<'a>

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.