pub struct MultiMethodDosResult {
pub energies: Vec<f64>,
pub total_dos: Vec<f64>,
pub method: DosMethod,
pub homo_energy: f64,
pub lumo_energy: f64,
pub gap: f64,
pub orbital_energies: Vec<f64>,
pub sigma: f64,
}Expand description
Multi-method DOS result extending base DosResult.
Fields§
§energies: Vec<f64>Energy grid (eV).
total_dos: Vec<f64>Total DOS (states/eV).
method: DosMethodMethod used.
homo_energy: f64HOMO energy (eV).
lumo_energy: f64LUMO energy (eV).
gap: f64HOMO-LUMO gap (eV).
orbital_energies: Vec<f64>Orbital energies used (eV).
sigma: f64Smearing width (eV).
Trait Implementations§
Source§impl Clone for MultiMethodDosResult
impl Clone for MultiMethodDosResult
Source§fn clone(&self) -> MultiMethodDosResult
fn clone(&self) -> MultiMethodDosResult
Returns a duplicate of the value. Read more
1.0.0 · 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 MultiMethodDosResult
impl Debug for MultiMethodDosResult
Source§impl<'de> Deserialize<'de> for MultiMethodDosResult
impl<'de> Deserialize<'de> for MultiMethodDosResult
Source§fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
Deserialize this value from the given Serde deserializer. Read more
Auto Trait Implementations§
impl Freeze for MultiMethodDosResult
impl RefUnwindSafe for MultiMethodDosResult
impl Send for MultiMethodDosResult
impl Sync for MultiMethodDosResult
impl Unpin for MultiMethodDosResult
impl UnsafeUnpin for MultiMethodDosResult
impl UnwindSafe for MultiMethodDosResult
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,
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 moreSource§impl<T> Pointable for T
impl<T> Pointable for T
Source§impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
Source§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 moreSource§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).Source§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.Source§fn from_subset(element: &SS) -> SP
fn from_subset(element: &SS) -> SP
The inclusion map: converts
self to the equivalent element of its superset.