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Add python wrapper for SimulationArchive helper C functions; add notebooks#126

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yatriks wants to merge 4 commits into
matthewholman:mainfrom
yatriks:sa_interpolate_py
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Add python wrapper for SimulationArchive helper C functions; add notebooks#126
yatriks wants to merge 4 commits into
matthewholman:mainfrom
yatriks:sa_interpolate_py

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@yatriks yatriks commented Mar 23, 2026

This PR will:

  1. Add a a wrapper for the assist_create_interpolated_simulation C function in Python,
  2. Add a notebook about using SimulationArchives with ASSIST,
  3. Add a notebook about the interpolation procedure in integrate_or_interpolate.

The first two I hope are useful; it's possible that there's a more sustainable way of implementing how to use SimulationArchive's with ASSIST, but I hope this at least captures the procedure for how to do it correctly now given the state.

As for the notebook about the interpolation procedure, it may be that it's only useful for me, and I'm happy to remove it if it adds no value. I'm also not sure if the way that ax.current_state/sim.particles store acceleration (and how the pre_timestep_modifications are involved) is a 'bug' or just state management I don't understand -- it's a specialized use case and I'm happy to defer to your expertise on if it adds any value.

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