castep_seeding

Trait ParamBuilding

Source 
pub trait ParamBuilding {
    // Required method
    fn build_param_for_task(
        &self,
        template_cell: &CellDocument,
        castep_task: CastepTask,
    ) -> Result<CastepParam, SeedingErrors>;

    // Provided methods
    fn cutoff_energy<P: AsRef<Path>>(
        &self,
        template_cell: &CellDocument,
        energy_cutoff: EnergyCutoff,
        potentials_loc: P,
    ) -> Result<f64, EnergyCutoffError> { ... }
    fn geom_opt_param_template<P: AsRef<Path>>(
        &self,
        template_cell: &CellDocument,
        energy_cutoff: EnergyCutoff,
        use_edft: bool,
        potentials_loc: P,
    ) -> Result<CastepParam, SeedingErrors> { ... }
    fn dos_param_template<P: AsRef<Path>>(
        &self,
        template_cell: &CellDocument,
        energy_cutoff: EnergyCutoff,
        use_edft: bool,
        potentials_loc: P,
    ) -> Result<CastepParam, SeedingErrors> { ... }
}

Required Methods§

Source

fn build_param_for_task( &self, template_cell: &CellDocument, castep_task: CastepTask, ) -> Result<CastepParam, SeedingErrors>

Provided Methods§

Source

fn cutoff_energy<P: AsRef<Path>>( &self, template_cell: &CellDocument, energy_cutoff: EnergyCutoff, potentials_loc: P, ) -> Result<f64, EnergyCutoffError>

Source

fn geom_opt_param_template<P: AsRef<Path>>( &self, template_cell: &CellDocument, energy_cutoff: EnergyCutoff, use_edft: bool, potentials_loc: P, ) -> Result<CastepParam, SeedingErrors>

Source

fn dos_param_template<P: AsRef<Path>>( &self, template_cell: &CellDocument, energy_cutoff: EnergyCutoff, use_edft: bool, potentials_loc: P, ) -> Result<CastepParam, SeedingErrors>

Dyn Compatibility§

This trait is not dyn compatible.

In older versions of Rust, dyn compatibility was called "object safety", so this trait is not object safe.

Implementors§