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feat: muD fast calculation for values <0.5 and >6 #167

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Closed
Tracked by #145
yucongalicechen opened this issue Feb 7, 2025 · 1 comment · Fixed by #170
Closed
Tracked by #145

feat: muD fast calculation for values <0.5 and >6 #167

yucongalicechen opened this issue Feb 7, 2025 · 1 comment · Fixed by #170
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0.2.1 release

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@yucongalicechen
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yucongalicechen commented Feb 7, 2025 •
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Problem

Proposed solution

  1. Include muD up to 7 for fast calculation.
  2. Default to brute-force computation when muD < 0.5 or > 7; report muD value during computation.
@yucongalicechen yucongalicechen added this to the 0.2.1 release milestone Feb 7, 2025
@sbillinge
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why are we going from 6 to 7? This seems pretty arbitrary. I think it is more a philosophical issue about how to handle this flow. We can define mud_threshold for example. Right now mud_threshold = 6. We could change mud_threshold to something else, but the conversation here might be better to be about what flow we want whenmud_threshold is exceeded in general.

@yucongalicechen yucongalicechen mentioned this issue Feb 23, 2025
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@yucongalicechen yucongalicechen mentioned this issue Apr 15, 2025
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feat: increase fast cal to muD=7 yucongalicechen/diffpy.labpdfproc
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@sbillinge @yucongalicechen