Support β-tensor displacement parameters and fix dark-mode plots#199

Merged

AndrewSazonov merged 52 commits into

adp-beta-tensor

Jun 11, 2026

Commits on Jun 10, 2026

Commits on Jun 11, 2026

Send beta atoms to cryspy in U notation
AndrewSazonov
committed
Use beta tensor directly in single-crystal verification examples
AndrewSazonov
committed
Satisfy lint and docstring checks for beta tensor
AndrewSazonov
committed
Wrap over-length comments in pandas table styler
AndrewSazonov
committed
Add beta tensor tests: reciprocal helper, conversion, display, cryspy
AndrewSazonov
committed
Add CIF template for Pr2NiO4 and update PCR parameters
AndrewSazonov
committed
Add beta tensor tests: CIF round-trip, family, builder, report units
AndrewSazonov
committed
Update notebooks
AndrewSazonov
committed
Refactor in-house calculation engine documentation for clarity and consistency
AndrewSazonov
committed
Update Tb₂Ti₂O₇ verification details for clarity and consistency
AndrewSazonov
committed
Add entry to CI skip list for sg-neut-cwl_ext-iso_tbti due to asymmetry type differences
AndrewSazonov
committed
Add cryspy beta U-notation stash/restore regression test
AndrewSazonov
committed
Fix report units routing so beta suppression actually applies
AndrewSazonov
committed
Mark Phase 2 verification complete in adp-beta-tensor plan
AndrewSazonov
committed
Fix comment formatting for clarity on cryspy isotropic extinction
AndrewSazonov
committed
Support inline create(adp_type=...) for anisotropic atoms
AndrewSazonov
committed
Set adp_type='beta' inline in single-crystal verification examples
AndrewSazonov
committed
Add plan-required beta tests (iso->beta, Bani->beta, diagonal guard, B_eq, header)
AndrewSazonov
committed
Document the dual beta->cryspy path (passthrough + CIF relabel)
AndrewSazonov
committed
Update navigation in mkdocs.yml
AndrewSazonov
committed
Respect Jupyter dark mode via the shared figure loader

AndrewSazonov
and
claude
committed
Add minimizer ADP-constraint bypass regression test

AndrewSazonov
and
claude
committed
Document the minimizer ADP-constraint validation bypass

AndrewSazonov
and
claude
committed
Record inline-create and dark-mode additions in the plan

AndrewSazonov
and
claude
committed
Decouple the figure helper loader from include_plotlyjs

AndrewSazonov
and
claude
committed
Refine documentation for PbSO₄ and LaB₆ entries
AndrewSazonov
committed