pub struct GroundStateEnergyGradient {
pub energy: f64,
pub state: Vec<Complex64>,
pub gradient: ParameterGradient,
pub diagnostics: GradientDiagnostics,
pub eigensolver_iterations: usize,
}Expand description
Ground-state energy, Hellmann–Feynman gradient, and solver evidence.
This rule differentiates an isolated lowest eigenvalue of a real-parameter Hermitian operator family. It deliberately does not return a derivative of an arbitrarily phased eigenvector.
Fields§
§energy: f64Algebraically smallest eigenvalue.
state: Vec<Complex64>Normalized eigenvector used by the Hellmann–Feynman rule.
gradient: ParameterGradientOrdered dE/dθᵢ = ⟨ψ|Aᵢ|ψ⟩.
diagnostics: GradientDiagnosticsResidual and spectral-separation evidence.
eigensolver_iterations: usizeEigensolver iteration count.
Trait Implementations§
Source§impl Clone for GroundStateEnergyGradient
impl Clone for GroundStateEnergyGradient
Source§fn clone(&self) -> GroundStateEnergyGradient
fn clone(&self) -> GroundStateEnergyGradient
Returns a duplicate of the value. Read more
1.0.0 (const: unstable) · Source§fn clone_from(&mut self, source: &Self)
fn clone_from(&mut self, source: &Self)
Performs copy-assignment from
source. Read moreAuto Trait Implementations§
impl Freeze for GroundStateEnergyGradient
impl RefUnwindSafe for GroundStateEnergyGradient
impl Send for GroundStateEnergyGradient
impl Sync for GroundStateEnergyGradient
impl Unpin for GroundStateEnergyGradient
impl UnsafeUnpin for GroundStateEnergyGradient
impl UnwindSafe for GroundStateEnergyGradient
Blanket Implementations§
Source§impl<T> BorrowMut<T> for Twhere
T: ?Sized,
impl<T> BorrowMut<T> for Twhere
T: ?Sized,
Source§fn borrow_mut(&mut self) -> &mut T
fn borrow_mut(&mut self) -> &mut T
Mutably borrows from an owned value. Read more
Source§impl<T> CloneToUninit for Twhere
T: Clone,
impl<T> CloneToUninit for Twhere
T: Clone,
§impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
§fn to_subset(&self) -> Option<SS>
fn to_subset(&self) -> Option<SS>
The inverse inclusion map: attempts to construct
self from the equivalent element of its
superset. Read more§fn is_in_subset(&self) -> bool
fn is_in_subset(&self) -> bool
Checks if
self is actually part of its subset T (and can be converted to it).§fn to_subset_unchecked(&self) -> SS
fn to_subset_unchecked(&self) -> SS
Use with care! Same as
self.to_subset but without any property checks. Always succeeds.§fn from_subset(element: &SS) -> SP
fn from_subset(element: &SS) -> SP
The inclusion map: converts
self to the equivalent element of its superset.