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GeomSpinFix

castep_cell_io::param::geometry_optimization

Struct GeomSpinFix 

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pub struct GeomSpinFix(pub i32);
Expand description

Determines the number of geometry optimization steps for which the total spin is fixed.

Keyword type: Integer

Default: 0 (spin is allowed to vary)

Example: GEOM_SPIN_FIX : 5

Tuple Fields§

§0: i32

Trait Implementations§

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impl Clone for GeomSpinFix

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fn clone(&self) -> GeomSpinFix

Returns a duplicate of the value. Read more
1.0.0 (const: unstable) · Source§

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

Performs copy-assignment from source. Read more
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impl Debug for GeomSpinFix

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

Formats the value using the given formatter. Read more
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impl Default for GeomSpinFix

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fn default() -> GeomSpinFix

Returns the “default value” for a type. Read more
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impl<'de> Deserialize<'de> for GeomSpinFix

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fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>
where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer. Read more
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impl FromCellValue for GeomSpinFix

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

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impl FromKeyValue for GeomSpinFix

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const KEY_NAME: &'static str = "GEOM_SPIN_FIX"

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

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

Alternative key names accepted during deserialization. Defaults to &[] (no aliases) for backward compatibility.
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fn from_cells(tokens: &[Cell<'_>]) -> Result<Option<Self>, Error>

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

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

Tests for self and other values to be equal, and is used by ==.
1.0.0 (const: unstable) · Source§

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

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

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fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>
where __S: Serializer,

Serialize this value into the given Serde serializer. Read more
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impl ToCell for GeomSpinFix

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

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impl ToCellValue for GeomSpinFix

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

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impl Copy for GeomSpinFix

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impl Eq for GeomSpinFix

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impl StructuralPartialEq for GeomSpinFix

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