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Teaks
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ddahlbom committed Jul 25, 2023
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Expand Up @@ -59,9 +59,11 @@ also available when only $𝒮^{αβ}(𝐪)$ is desired.

### Calculating a dynamical stucture factor: ``𝒮(𝐪,ω)``

The dynamical structure factor, $𝒮^{αβ}(𝐪,ω)$, may be estimated by collecting
sample trajectories and analyzing their spin-spin correlations.
`SampledCorrelations(sys; Δt, ωmax, nω)` will create a will create an empty
`SampledCorrelations` which can be used to accumulate correlation data from
sample trajectories. There are three keywords that must be specified. These
`SampledCorrelations` object that can be used to accumulate correlation data
from such trajectories. Three keywords that must be specified. These
keywords will determine the dynamics used to calculate the sample and,
consequently, the $ω$ information that will be available after the calculation
has completed.
Expand All @@ -82,12 +84,12 @@ has completed.
3. ``: Determines the number of energy bins to resolve. A larger number will
require more calculation time.

Samples may be accumulated into an estimate of $𝒮^{αβ}(𝐪,ω)$ by calling
`add_sample!(sc, sys)`. The input `sys` must be a spin configuration in good
thermal equilibrium, e.g., using the continuous [`Langevin`](@ref) dynamics or
using single spin flip trials with [`LocalSampler`](@ref). The statistical
quality of the $𝒮^{αβ}(𝐪,ω)$ can be improved by generating a decorrelated spin
configuration in `sys`, and then calling [`add_sample!`](@ref) additional times.
Samples may be added by calling `add_sample!(sc, sys)`. The input `sys` must be
a spin configuration in good thermal equilibrium, e.g., using the continuous
[`Langevin`](@ref) dynamics or using single spin flip trials with
[`LocalSampler`](@ref). The statistical quality of the $𝒮^{αβ}(𝐪,ω)$ can be
improved by generating a decorrelated spin configuration in `sys`, and then
calling [`add_sample!`](@ref) additional times.

The outline of typical use case might look like this:
```
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