pub struct IntervalSimStats {
    pub sim_progress: SimProgress,
    pub interval_sim_type: SimulationType,
    pub rejected_steps: u64,
    pub accepted_steps: u64,
    pub replica_exchanges: Option<u64>,
    pub proposed_replica_exchanges: Option<u64>,
    pub merged_over_walkers: NonZeroUsize,
}
Expand description

Statistics of one interval, used to gauge how well the simulation works etc.

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§sim_progress: SimProgress

the progress of the Interval

§interval_sim_type: SimulationType

Which type of simulation did the interval come from

§rejected_steps: u64

How many steps were rejected in total in the interval

§accepted_steps: u64

How many steps were accepted in total in the interval

§replica_exchanges: Option<u64>

How many replica exchanges were performed? None for Simulations that don’t do replica exchanges

§proposed_replica_exchanges: Option<u64>

How many replica exchanges were proposed? None for simulations that do not perform replica exchanges

§merged_over_walkers: NonZeroUsize

The number of walkers used to generate this sim. In Replica exchange sims you can have more than one walker per interval, which is where this comes from

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impl IntervalSimStats

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pub fn write<W: Write>(&self, writer: W) -> Result<()>

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impl Clone for IntervalSimStats

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fn clone(&self) -> IntervalSimStats

Returns a copy of the value. Read more
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fn clone_from(&mut self, source: &Self)

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

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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<'de> Deserialize<'de> for IntervalSimStats

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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 Serialize for IntervalSimStats

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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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fn borrow(&self) -> &T

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fn borrow_mut(&mut self) -> &mut T

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impl<S, T> Cast<T> for S
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fn cast(self) -> T

Cast from Self to T Read more
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impl<S, T> CastApprox<T> for S
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fn try_cast_approx(self) -> Result<T, Error>

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Cast approximately from Self to T Read more
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impl<S, T> CastFloat<T> for S
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Cast to integer, truncating Read more
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Cast to the nearest integer Read more
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Cast the floor to an integer Read more
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Cast the ceiling to an integer Read more
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Try converting to the nearest integer Read more
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Try converting the floor to an integer Read more
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Try convert the ceiling to an integer Read more
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impl<T> From<T> for T

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fn into(self) -> U

Calls U::from(self).

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const ALIGN: usize = _

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type Init = T

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unsafe fn init(init: <T as Pointable>::Init) -> usize

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unsafe fn deref_mut<'a>(ptr: usize) -> &'a mut T

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