fix: recompute packet wrap shifts from float32 positions - #32
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Shifts were computed in float64 then paired with quantized positions, which disagrees at the half-cell boundary. Recompute shifts from the float32 coordinates the packet stores.
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Centered image shifts were computed in float64 and then shipped with float32 positions. At the half-cell boundary those disagree by one lattice vector. The encoder now recomputes shifts from the float32 positions stored in the packet.
Fixes #29.