Enum MagresMethod 

pub enum MagresMethod {
    Crystal,
    Molecular,
}

Selects the method used by CASTEP for the evaluation of the quantum-mechanical position operator.

Keyword type: String

Default: MagresMethod::Crystal

Example: MAGRES_METHOD : molecular

Variants

Crystal

Uses the reciprocal space representation; applicable for both crystals and “molecule in a box”

Molecular

Applicable only for “molecule in a box”; faster calculation

Trait Implementations

impl Clone for MagresMethod

fn clone(&self) -> MagresMethod

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for MagresMethod

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Default for MagresMethod

fn default() -> MagresMethod

Returns the “default value” for a type.

impl FromCellValue for MagresMethod

fn from_cell_value(value: &CellValue<'_>) -> CResult<Self>

impl FromKeyValue for MagresMethod

const KEY_NAME: &'static str = "MAGRES_METHOD"

fn from_cell_value_kv(value: &CellValue<'_>) -> CResult<Self>

const KEY_ALIASES: &'static [&'static str] = _

Alternative key names accepted during deserialization. Defaults to &[] (no aliases) for backward compatibility.

fn from_cells(tokens: &[Cell<'_>]) -> Result<Option<Self>, Error>

Provided: returns None if the key and all aliases are absent (optional fields).

impl Hash for MagresMethod

fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher.

fn hash_slice<H>(data: &[Self], state: &mut H)

where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher.

impl PartialEq for MagresMethod

fn eq(&self, other: &MagresMethod) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl ToCell for MagresMethod

fn to_cell(&self) -> Cell<'_>

impl ToCellValue for MagresMethod

fn to_cell_value(&self) -> CellValue<'_>

impl Copy for MagresMethod

impl Eq for MagresMethod

impl StructuralPartialEq for MagresMethod