Struct HybridEnergyDiff 

#[repr(C)]
pub struct HybridEnergyDiff<T: Real> {
    pub energy: T,
    pub force_factor_rad: T,
    pub force_factor_ang: T,
}

Specialized output for Hybrid potentials (e.g., Hydrogen Bonds).

Hybrid potentials depend on both distance (r) and angle (theta), producing two distinct derivative factors for force distribution.

Fields

energy: T

force_factor_rad: T

Radial force factor: -(1/r * dE/dr) Used to compute forces along the D-A vector.

force_factor_ang: T

Angular force factor: dE/d(cos) Used to compute torque-like forces on D-H-A via Wilson B-Matrix.

Trait Implementations

impl<T: Clone + Real> Clone for HybridEnergyDiff<T>

fn clone(&self) -> HybridEnergyDiff<T>

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl<T: Debug + Real> Debug for HybridEnergyDiff<T>

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

Formats the value using the given formatter.

impl<T: Default + Real> Default for HybridEnergyDiff<T>

fn default() -> HybridEnergyDiff<T>

Returns the “default value” for a type.

impl<T: PartialEq + Real> PartialEq for HybridEnergyDiff<T>

fn eq(&self, other: &HybridEnergyDiff<T>) -> 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<T: Copy + Real> Copy for HybridEnergyDiff<T>

impl<T: Real> StructuralPartialEq for HybridEnergyDiff<T>