Struct BasisFunction 

pub struct BasisFunction {
    pub angular_momentum: (u32, i32),
    pub exponents: Vec<f64>,
    pub coefficients: Vec<f64>,
    pub normalization: Vec<f64>,
}

Basis function representation

Fields

angular_momentum: (u32, i32)

Angular momentum quantum numbers (l, m)

exponents: Vec<f64>

Gaussian exponents

coefficients: Vec<f64>

Contraction coefficients

normalization: Vec<f64>

Normalization constants

Trait Implementations

impl Clone for BasisFunction

fn clone(&self) -> BasisFunction

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for BasisFunction

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for BasisFunction

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for BasisFunction

fn eq(&self, other: &BasisFunction) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl Serialize for BasisFunction

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl StructuralPartialEq for BasisFunction