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@qindrew qindrew commented Nov 20, 2025

When restarting, the positions, velocities, etc. must be overwritten in the lammps context because that is where the integration occurs. Overwriting the snapshot in Sampler is still required for applying the correct bias at the first step.

qindrew and others added 8 commits November 20, 2025 18:30
When restarting, the positions, velocities, etc. must be overwritten in the lammps context because that is what is run. Overwriting the snapshot in the Sampler is still needed for the correct bias at the first step.
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