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AdamCorrao
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Re/06 easydiff schema
- #7
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Oct 12, 2026
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Re/06 easydiff schema
#7
AdamCorrao
merged 20 commits into
refactor/multi-engine
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refactor(easydiffraction): move the easydiff package into gateways/easydiffraction (A24, A136)
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feat(easydiffraction): native easydiffraction.rietveld schema (re/06)
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feat(easydiffraction): native builder and run for easydiffraction.rietveld (re/06)
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Commits on Oct 10, 2026
chore(easydiffraction): bump easydiffraction to 0.21.1 and solve env
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chore(easydiffraction): supported version ==0.21.1 (A116)
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fix(easydiffraction): anisotropic ADPs reach the engine (EB-23, A169)
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docs(easydiffraction): the not-converged warning names its likely causes (A166)
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fix(easydiffraction): verify each calculator's settings on its own (A170)
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test(easydiffraction): two-phase native fixture, test and golden (re/06)
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feat(easydiffraction): negative peak widths are refused, and reported after a run (A171)
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docs(easydiffraction): SCHEMA_HISTORY entry for engine schema 1.0.0 (re/06)
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fix(easydiffraction): write the data loop without exponents (EB-89)
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test(easydiffraction): the CrysPy LaB6 golden carries the negative-width warning (A171)
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feat(gsasii): report whether a Rietveld refinement converged (A172)
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fix(easydiffraction): read the reflection list strictly; tests for six safeguards (re/06 PR review N1, N5)
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fix(easydiffraction): verify settings on every special site; CrysPy refuses nine origin-1 settings (A174)
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fix(easydiffraction): refuse negative intensities; check peak widths within 1 deg of the window (A177, A178)
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feat(easydiffraction): accept positions held as a lattice translation; CrysFML warns; golden tolerances (A175, A176, A179)
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docs(easydiffraction): SCHEMA_HISTORY for the PR-review decisions (A174-A178)
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Commits on Oct 12, 2026
fix(easydiffraction): at a zero limit, judge "ended at the limit" relative to the starting value (A181)
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