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refactor: use a more flexible interface to utilize `diffpy.srfit` - #31

Merged

sbillinge merged 14 commits into

diffpy:mainfrom

ycexiao:refinement

Sep 7, 2026

Commits on Aug 5, 2026
- refactor: use a more flexible interface to utilize `diffpy.srfit`
  
  Yuchen Xiao
  authored and
  Yuchen Xiao
  committed
  ec7ab8c
Commits on Aug 8, 2026
- feat: implement parsers for profile and phase
  
  Yuchen Xiao
  authored and
  ycexiao
  committed
  460d1df
Commits on Aug 9, 2026
- feat: implement minimal refinement functionalities
  ycexiao
  committed
  58421db
Commits on Aug 10, 2026
- feat: add ParameterSetTree and implement the refinement interface
  ycexiao
  committed
  3562209
- chore: add dependencies
  ycexiao
  committed
  9f61c05
- chore: update test data to ensure refinement convergence
  ycexiao
  committed
  444e368
Commits on Aug 14, 2026
- feat: add `ParametricModelPDF`
  ycexiao
  committed
  5c65294
Commits on Aug 16, 2026
- feat: add MCP server
  ycexiao
  committed
  bf252ed
Commits on Aug 26, 2026
- chore: replace camelCase method names with snake_case
  ycexiao
  committed
  d985efe
Commits on Aug 28, 2026
- feat: allow impose space group symmetry for `ParametricModelPDF`
  ycexiao
  committed
  d39b338
Commits on Aug 31, 2026
- chore: add `__init__.py`
  ycexiao
  committed
  1489452
- fix: udpate requirements
  ycexiao
  committed
  30c3040
Commits on Sep 1, 2026
- feat: add ParametricModelPDF symmetry constraints
  ycexiao
  committed
  c555166
Commits on Sep 7, 2026
- chore: finalize basic functionalities for PDF refinement
  ycexiao
  committed
  ae57d1b