pub struct CorrelationPolarizationInfo {
pub model: &'static str,
pub polarizability_bohr3: f64,
pub polarizability_source: String,
pub b_pol_squared: f64,
pub cutoff_d_bohr: f64,
pub join_radius_bohr: Option<f64>,
pub outer_radius_bohr: f64,
}Expand description
Metadata of the correlation-polarization correction.
Fields§
§model: &'static strModel identifier (CORRELATION_POLARIZATION_MODEL).
polarizability_bohr3: f64Dipole polarizability used, bohr^3.
polarizability_source: StringIts citation, as supplied.
b_pol_squared: f64b_pol^2 used in Eq. (4), dimensionless.
cutoff_d_bohr: f64Cutoff d of Eq. (3), bohr.
join_radius_bohr: Option<f64>Outer crossing r_cp of Eq. (9), bohr; None when it lies below
JOIN_SCAN_FLOOR (then V_cp = V_pol on the whole grid).
outer_radius_bohr: f64Radius beyond which the tail is dropped, bohr.
Trait Implementations§
Source§impl Clone for CorrelationPolarizationInfo
impl Clone for CorrelationPolarizationInfo
Source§fn clone(&self) -> CorrelationPolarizationInfo
fn clone(&self) -> CorrelationPolarizationInfo
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 moreSource§impl Debug for CorrelationPolarizationInfo
impl Debug for CorrelationPolarizationInfo
impl StructuralPartialEq for CorrelationPolarizationInfo
Auto Trait Implementations§
impl Freeze for CorrelationPolarizationInfo
impl RefUnwindSafe for CorrelationPolarizationInfo
impl Send for CorrelationPolarizationInfo
impl Sync for CorrelationPolarizationInfo
impl Unpin for CorrelationPolarizationInfo
impl UnsafeUnpin for CorrelationPolarizationInfo
impl UnwindSafe for CorrelationPolarizationInfo
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
impl<ST, DT> CastableFrom<ST, Initialized, Initialized> for DT
impl<ST, DT> CastableFrom<ST, Uninit, Uninit> for DT
Source§impl<T> CloneToUninit for Twhere
T: Clone,
impl<T> CloneToUninit for Twhere
T: Clone,
Source§impl<T> IntoEither for T
impl<T> IntoEither for T
Source§fn into_either(self, into_left: bool) -> Either<Self, Self> ⓘ
fn into_either(self, into_left: bool) -> Either<Self, Self> ⓘ
Converts
self into a Left variant of Either<Self, Self>
if into_left is true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§fn into_either_with<F>(self, into_left: F) -> Either<Self, Self> ⓘ
fn into_either_with<F>(self, into_left: F) -> Either<Self, Self> ⓘ
Converts
self into a Left variant of Either<Self, Self>
if into_left(&self) returns true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read more