CastepParamBuilder

castep_param_io::param

Struct CastepParamBuilder 

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pub struct CastepParamBuilder { /* private fields */ }
Expand description

Builder for CastepParam.

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impl CastepParamBuilder

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pub fn general_keywords(&mut self, value: General) -> &mut Self

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pub fn units(&mut self, value: Units) -> &mut Self

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pub fn pseudopotentials(&mut self, value: Pseudopotentials) -> &mut Self

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pub fn band_structure(&mut self, value: BandStructure) -> &mut Self

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pub fn basis_set(&mut self, value: BasisSet) -> &mut Self

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pub fn electronic(&mut self, value: ElectronicParam) -> &mut Self

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pub fn electro_min(&mut self, value: ElectroMinimization) -> &mut Self

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pub fn density_mixing(&mut self, value: DensityMixingParams) -> &mut Self

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pub fn population_analysis(&mut self, value: PopulationAnalysis) -> &mut Self

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pub fn geom_opt(&mut self, value: GeomOpt) -> &mut Self

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pub fn xc_correlation(&mut self, value: XcParam) -> &mut Self

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pub fn build(&self) -> Result<CastepParam, CastepParamBuilderError>

Builds a new CastepParam.

§Errors

If a required field has not been initialized.

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impl Clone for CastepParamBuilder

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fn clone(&self) -> CastepParamBuilder

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 Default for CastepParamBuilder

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fn default() -> Self

Returns the “default value” for a type. Read more

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impl<T> Any for T
where T: 'static + ?Sized,

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fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more
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impl<T> Borrow<T> for T
where T: ?Sized,

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fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more
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impl<T> BorrowMut<T> for T
where T: ?Sized,

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fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more
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impl<T> CloneToUninit for T
where T: Clone,

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unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)
Performs copy-assignment from self to dest. Read more
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impl<T> From<T> for T

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fn from(t: T) -> T

Returns the argument unchanged.

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impl<T, U> Into<U> for T
where U: From<T>,

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fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

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impl<T> ToOwned for T
where T: Clone,

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type Owned = T

The resulting type after obtaining ownership.
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fn to_owned(&self) -> T

Creates owned data from borrowed data, usually by cloning. Read more
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fn clone_into(&self, target: &mut T)

Uses borrowed data to replace owned data, usually by cloning. Read more
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impl<T, U> TryFrom<U> for T
where U: Into<T>,

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type Error = Infallible

The type returned in the event of a conversion error.
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fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>

Performs the conversion.
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impl<T, U> TryInto<U> for T
where U: TryFrom<T>,

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type Error = <U as TryFrom<T>>::Error

The type returned in the event of a conversion error.
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fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>

Performs the conversion.