Enum lumol::sim::TemperatureStrategy

pub enum TemperatureStrategy {
    None,
    Velocities,
    External(f64),
}

Possible temperature computation strategies. Different propagators needs different ways to compute the temperature: Monte Carlo temperature is a constant of the simulation, whereas for molecular dynamics we use the instantaneous velocities.

Variants

None

No specific strategy, use whatever strategy was already in use.

Velocities

Use the instantaneous velocities to compute the temperature

External(f64)

Use a fixed external temperature

Trait Implementations

impl Clone for TemperatureStrategy

pub fn clone(&self) -> TemperatureStrategy

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for TemperatureStrategy

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

Formats the value using the given formatter.

impl PartialEq<TemperatureStrategy> for TemperatureStrategy

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

This method tests for self and other values to be equal, and is used by ==.

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

This method tests for !=.

impl StructuralPartialEq for TemperatureStrategy