Struct BasisSetBuilder 

pub struct BasisSetBuilder { /* private fields */ }

Builder for BasisSet.

Implementations

impl BasisSetBuilder

pub fn basis_de_dloge<VALUE: Into<BasisDeDloge>>( &mut self, value: VALUE, ) -> &mut Self

pub fn basis_precision<VALUE: Into<BasisPrecision>>( &mut self, value: VALUE, ) -> &mut Self

pub fn cut_off_energy<VALUE: Into<CutoffEnergy>>( &mut self, value: VALUE, ) -> &mut Self

pub fn fine_gmax<VALUE: Into<FineGMax>>(&mut self, value: VALUE) -> &mut Self

pub fn fine_grid_scale<VALUE: Into<FineGridScale>>( &mut self, value: VALUE, ) -> &mut Self

pub fn finite_basis_corr<VALUE: Into<FiniteBasisCorr>>( &mut self, value: VALUE, ) -> &mut Self

pub fn finite_basis_npoints<VALUE: Into<FiniteBasisNPoints>>( &mut self, value: VALUE, ) -> &mut Self

pub fn finite_basis_spacing<VALUE: Into<FiniteBasisSpacing>>( &mut self, value: VALUE, ) -> &mut Self

pub fn fixed_npw<VALUE: Into<FixedNPW>>(&mut self, value: VALUE) -> &mut Self

pub fn grid_scale<VALUE: Into<GridScale>>(&mut self, value: VALUE) -> &mut Self

pub fn build(&self) -> Result<BasisSet, BasisSetBuilderError>

Builds a new BasisSet.

Errors

If a required field has not been initialized.

Trait Implementations

impl Clone for BasisSetBuilder

fn clone(&self) -> BasisSetBuilder

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Default for BasisSetBuilder

fn default() -> Self

Returns the “default value” for a type.