qsym2::angmom::spinor_rotation_3d

Enum SpinConstraint

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pub enum SpinConstraint {
    Restricted(u16),
    Unrestricted(u16, bool),
    Generalised(u16, bool),
}
Expand description

Enumerated type to manage spin constraints and spin space information for the conventional treatment of spin and spatial degrees of freedom in a decoupled manner.

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Restricted(u16)

Variant for restricted spin constraint: the spatial parts of all spin spaces are identical. The associated value is the number of spin spaces.

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Unrestricted(u16, bool)

Variant for unrestricted spin constraint: the spatial parts of different spin spaces are different, but spin collinearity is maintained. The associated values are the number of spin spaces (i.e. the number of different spatial parts that are handled separately) and a boolean indicating if the spin spaces are arranged in increasing $m$ order.

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Generalised(u16, bool)

Variant for generalised spin constraint: the spatial parts of different spin spaces are different, and no spin collinearity is imposed. The associated values are the number of spin spaces and a boolean indicating if the spin spaces are arranged in increasing $m$ order.

Trait Implementations§

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impl Clone for SpinConstraint

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fn clone(&self) -> SpinConstraint

Returns a duplicate of the value. Read more
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fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more
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impl Debug for SpinConstraint

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

Formats the value using the given formatter. Read more
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impl<'de> Deserialize<'de> for SpinConstraint

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fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>
where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer. Read more
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impl Display for SpinConstraint

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

Formats the value using the given formatter. Read more
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impl From<PySpinConstraint> for SpinConstraint

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fn from(pysc: PySpinConstraint) -> Self

Converts to this type from the input type.
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impl Hash for SpinConstraint

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fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher. Read more
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fn hash_slice<H>(data: &[Self], state: &mut H)
where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher. Read more
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impl PartialEq for SpinConstraint

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

Tests for self and other values to be equal, and is used by ==.
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fn ne(&self, other: &Rhs) -> bool

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

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

Serialize this value into the given Serde serializer. Read more
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impl StructureConstraint for SpinConstraint

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fn n_coefficient_matrices(&self) -> usize

The total number of coefficient matrices expected in this constraint.
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fn n_explicit_comps_per_coefficient_matrix(&self) -> usize

The number of isostructural components explicitly specified by each coefficient matrix. The basis functions described by any accompanying basis angular order information will pertain to any one of the isostructural components.
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fn n_implicit_comps_per_coefficient_matrix(&self) -> usize

The number of isostructural components implicitly specified by each coefficient matrix.
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fn n_comps(&self) -> usize

The total number of isostructural components given by the product of Self::n_coefficient_matrices and Self::n_implicit_comps_per_coefficient_matrix.
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fn implicit_factor(&self) -> Result<usize, Error>

The implicit factor given by the ratio between Self::n_implicit_comps_per_coefficient_matrix and Self::n_explicit_comps_per_coefficient_matrix. It will be checked that this ratio yields an integer.
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impl TryFrom<PyStructureConstraint> for SpinConstraint

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type Error = Error

The type returned in the event of a conversion error.
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fn try_from(py_sc: PyStructureConstraint) -> Result<Self, Self::Error>

Performs the conversion.
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impl TryFrom<SpinConstraint> for PySpinConstraint

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type Error = Error

The type returned in the event of a conversion error.
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fn try_from(sc: SpinConstraint) -> Result<Self, Self::Error>

Performs the conversion.
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impl TryFrom<SpinConstraint> for PyStructureConstraint

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type Error = Error

The type returned in the event of a conversion error.
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fn try_from(sc: SpinConstraint) -> Result<Self, Self::Error>

Performs the conversion.
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impl Eq for SpinConstraint

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impl StructuralPartialEq for SpinConstraint

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🔬This is a nightly-only experimental API. (clone_to_uninit)
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