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create experimental docs section
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lmiq committed Jul 11, 2024
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3 changes: 2 additions & 1 deletion docs/make.jl
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Expand Up @@ -19,7 +19,8 @@ makedocs(
"Miscelaneous functions" => "miscelaneous.md",
"Developer zone" => "Developer.md",
"Plotting style" => "plotting_style.md",
"Simulation Reweight" => "Reweighting.md"
"Experimental" => "Experimental.md",
" ∘ Simulation Reweighting" => "Reweighting.md",
],
)
deploydocs(
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9 changes: 9 additions & 0 deletions docs/src/Experimental.md
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# Experimental features

The features in this section are experimental, meaning that they are under
active development, with possible early bugs and unstable interfaces. The
semantic version of the package is not compromised to the changes of these
features.

- [Simulation reweighting](@ref simulation_reweighting)

3 changes: 2 additions & 1 deletion docs/src/Reweighting.md
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# [Simulation Reweighting](@id simulation_reweighting)

!!! warning
This is an experimental feature. Breaking changes may occur without
a breaking package release.

# Simulation Reweighting
Computes the new weight for a frame of a simulation based on the energy difference between the perturbed and non-perturbed original sampling

This resource is based on the Free Energy Perturbation Theory (FEP) in the Molecular Dynamics context. Most of the time, each frame will contribute equally
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