fix: infer ori edge case#273
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RafiBrent merged 2 commits intoproductionfrom Apr 23, 2026
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…e original hotspot COM is near (0,0,0)
timkartar
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Apr 23, 2026
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fixes issue #272 |
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Fixes a bug where the zero-initalized coordinates of the diffused atoms could affect inferred ori token placement. This occurred when the centroid of the hotspots was within 12 Angstroms of (0,0,0) in the original input file.