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Crystal lattice and co. - #36

Merged

damskii9992 merged 46 commits into

developfrom

MWP_sample_model_2

Oct 20, 2026

Merged

Crystal lattice and co.#36
damskii9992 merged 46 commits into
developfrom
MWP_sample_model_2

Commits on Jul 14, 2026
- Create the SampleModel file structure
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  c9b32fe
- Add AtomSite class and start on Lattice class, also small start on documentation
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  3d4823b
- rename Lattice attributes
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  79bdb7b
Commits on Jul 16, 2026
- Add initial Lattice class
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  b89eb26
Commits on Jul 26, 2026
- Add Debye temperature to atom_site and add cubic class method
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  e711d6c
Commits on Jul 27, 2026
- Add temperature to Lattice
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  1b18a39
- Ruff
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  94154ab
Commits on Jul 30, 2026
- add normalize_fractions to mixture class
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  77896fa
Commits on Jul 31, 2026
- Add auto-normalize capability
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  6ef851b
- Add add/remove component methods to Mixture
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  ea55e88
Commits on Aug 3, 2026
- Move Mixture to seperate branch
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  6698289
- remove temperature parameter from Lattice
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  ba19495
Commits on Aug 4, 2026
- Create Atoms enum
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  2ca2f62
- Fix changes to new enum and add FCC, diamond and zincblende constructors.
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  9bfcf17
Commits on Aug 5, 2026
- add hexagonal and HCP convenience methods
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  85b7e76
Commits on Sep 21, 2026
- Claude unit tests and update pixi
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  c82b32a
Commits on Sep 24, 2026
- update test_atom_site
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  dfc7669
- Finish atom_site and atoms unit tests
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  7a1318d
Commits on Sep 25, 2026
- Finish Lattice unit tests
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  694fbbf
- Lint and format checks
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  ab0929d
Commits on Sep 28, 2026
- Update crystals tests
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  757e00c
- Add claude docstrings to docs
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  05fcb3d
Commits on Sep 29, 2026
- Add Lattice type validation and tests
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  4079be2
- Update python versions supported
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  668e24f
- update pixi dependencies
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  184fd8a
- potentially update all python version references?
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  11ed841
- update pixi lock
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  614d281
- made a whoopsie
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  314ecc7
- Update Lattice class docstring and summary, next is Attributes and Methods of the class
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  e4d7eb0
Commits on Sep 30, 2026
- Update Lattice docstrings and rename fract coords in AtomSite
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  1877182
Commits on Oct 9, 2026
Commits on Oct 13, 2026
- Update Hexagonal and cubic to lock angles
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  f83eccd
- Fix linting
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  bc5f2ed
Commits on Oct 14, 2026
Commits on Oct 16, 2026
- Finish docstrings
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  c646b6b
- Make Atoms frozen
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  308cde9
Commits on Oct 19, 2026
- Fix Debye temperatuer claude bug
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  committed
  c3ea138
- Fix more claude bugs
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  committed
  8f1ee6d
Commits on Oct 20, 2026
- Final claude bug and change to new logging system
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  committed
  30899fc
- Minor DRY changes
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  7afdc71
- Lint
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  committed
  4429886
- update pixi and remove deprecit css stylesheet
  damskii9992
  committed
  ccfd5c4

Commits

Commits on Jul 14, 2026

Commits on Jul 16, 2026

Commits on Jul 26, 2026

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Commits on Jul 30, 2026

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Commits on Sep 28, 2026

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Commits on Sep 30, 2026

Commits on Oct 9, 2026

Commits on Oct 13, 2026

Commits on Oct 14, 2026

Commits on Oct 16, 2026

Commits on Oct 19, 2026

Commits on Oct 20, 2026