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HatPdotS
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Aug 7, 2026
HatPdotS
commented
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- Added switch to turn off caching mixin
- Switched the ADP distribution restraint from a Gaussian in log(B) to the shifted inverse-gamma distribution of Masmaliyeva & Murshudov (2019)
- Reworked outlier rejection to follow wilson criteria
- Reworked free flag generation so Friedel pairs get matching flags
- Fixed breaking bug were sigma_A estimation did not work on mps
Measured R-factor deltas, structure counts, p-values, and GPU/hardware speedups/timings are removed from docstrings and comments across the package; such results belong in the paper, not the code, where they go stale. Also drops the incorrect 'ml_noalpha is best on R_free' docstring claims. No behavioural change (docstrings/comments only). Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
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