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Abstract Model and some fixes #6

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merged 34 commits into from
Jan 24, 2024
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e559ab8
Saving and loading particle size distribution over time
Dec 8, 2022
d4dd890
non-isothermal diffusion
Dec 22, 2022
b431d90
Support for custom functions to run as part of the solve function
Jan 5, 2023
3b09b2f
Grain growth model with zener pinning
Jan 12, 2023
4e8beca
minor PBM plotting fixes
nury12n Feb 20, 2023
e85bf86
Merge branch 'main' of https://github.com/materialsgenomefoundation/k…
nury12n Feb 20, 2023
494e483
minor refactoring to group modules together
nury12n May 1, 2023
05b09f8
refactoring and solver class
nury12n May 12, 2023
7f9a85c
solver implementation in diffusion modules
nury12n Jul 3, 2023
aa47b3c
removed mistakenly tracked files
nury12n Jul 3, 2023
d6fa2f1
initial Solver implementation of KWN model
nury12n Aug 7, 2023
1e0d59d
correcting updated PBM values for more stable outputs
nury12n Aug 9, 2023
5474a4b
redo basic coupling in precipitation model
nury12n Sep 7, 2023
1924fab
parallel tangent driving force method
Oct 9, 2023
17e4ec9
interstitial and ordering mobility, RK4 iterator fix for KWN model, n…
Dec 8, 2023
455a4c2
updated docstrings
Dec 14, 2023
22f83d0
grain growth model is compatible with new solver
Dec 15, 2023
19ee1a2
refactoring of iterators, addition of coupling class and new examples
Dec 18, 2023
f4d94db
minor change in diffusion model to be compatible with coupler
Dec 20, 2023
8ba1152
plotting selected contributions in strength model
Dec 20, 2023
85b6cf4
rename example files
Dec 21, 2023
3d0f5f3
simplify iterator API
Dec 21, 2023
c1bacc1
multicomponent surrogates to handle negative driving forces for curva…
Dec 21, 2023
071a6b0
fixed header strings
Dec 21, 2023
6334592
minor fix in examples text and change in attribute naming in mobility…
Jan 10, 2024
24bd815
MAINT: Add codecov support
richardotis Jan 14, 2024
632771c
fixup for package distribution
richardotis Jan 14, 2024
1d26eda
fixup for separate coverage XML names
richardotis Jan 14, 2024
4e15f5e
fixup for pycalphad versions in test
richardotis Jan 14, 2024
62b217b
fix for python 3.7
richardotis Jan 14, 2024
bafc693
added tests for precipitation and diffusion dxdt outputs and for solver
Jan 15, 2024
96a3d69
tests for time steps in the different models and for strain energy ou…
Jan 16, 2024
2cb62dc
hard-coded 3x3 inverse to improve performance of strain energy calcul…
Jan 16, 2024
cba3839
tests for plotting
Jan 17, 2024
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28 changes: 27 additions & 1 deletion .github/workflows/pytest.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -26,9 +26,35 @@ jobs:
- name: Install pycalphad development version
if: matrix.pycalphad_develop_version
run: python -m pip install git+https://github.com/pycalphad/pycalphad.git@develop
- name: Save pycalphad version
run: |
echo "PYCALPHAD_VERSION=$(python -c "from importlib_metadata import version;print(version('pycalphad'))")" >> $GITHUB_ENV
- run: python -m pip install build
- run: python -m build --wheel
- run: python -m pip install dist/*.whl
- run: python -m pip install pytest
- run: python -m pip list
- run: python -m pytest -v --pyargs kawin
# pytest:
# - The `--import-mode=append` and `--pyargs kawin` flags test the installed package over the local one
# - The `--cov` flag is required to turn on coverage
- run: pytest -v --import-mode=append --cov --cov-config=pyproject.toml --pyargs kawin
- run: coverage xml
- uses: actions/upload-artifact@v4
with:
name: coverage-${{ matrix.os }}-${{ matrix.python-version }}-pycalphad-${{ env.PYCALPHAD_VERSION }}
path: coverage.xml

Upload-Coverage:
runs-on: ubuntu-latest
needs: [Tests]
steps:
# The source code _must_ be checked out for coverage to be processed at Codecov.
- uses: actions/checkout@v4
- name: Download artifacts
uses: actions/download-artifact@v4
with:
pattern: coverage-*
- name: Upload to Codecov
uses: codecov/codecov-action@v3
with:
fail_ci_if_error: true
263 changes: 263 additions & 0 deletions examples/01_Binary_Precipitation.ipynb

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336 changes: 336 additions & 0 deletions examples/02_Multicomponent_Precipitation.ipynb

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262 changes: 262 additions & 0 deletions examples/03_Multiphase_Precipitation.ipynb

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243 changes: 243 additions & 0 deletions examples/04_Precipitation_with_Elastic_Energy.ipynb

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332 changes: 332 additions & 0 deletions examples/05_Strength_Modeling.ipynb

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203 changes: 203 additions & 0 deletions examples/06_Single_Phase_Diffusion.ipynb

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271 changes: 271 additions & 0 deletions examples/07_Homogenization_Model.ipynb

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421 changes: 421 additions & 0 deletions examples/08_Model_Coupling.ipynb

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558 changes: 558 additions & 0 deletions examples/09_Thermodynamics.ipynb

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418 changes: 418 additions & 0 deletions examples/10_Surrogates.ipynb

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320 changes: 320 additions & 0 deletions examples/11_Extra_Factors.ipynb

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243 changes: 243 additions & 0 deletions examples/12_Custom_Iterators.ipynb

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263 changes: 0 additions & 263 deletions examples/Binary Precipitation.ipynb

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317 changes: 0 additions & 317 deletions examples/Extra Factors.ipynb

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274 changes: 0 additions & 274 deletions examples/Homogenization Model.ipynb

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251 changes: 0 additions & 251 deletions examples/Multicomponent Precipitation.ipynb

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264 changes: 0 additions & 264 deletions examples/Multiphase Precipitation.ipynb

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244 changes: 0 additions & 244 deletions examples/Precipitation with Elastic Energy.ipynb

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197 changes: 0 additions & 197 deletions examples/Single Phase Diffusion.ipynb

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310 changes: 0 additions & 310 deletions examples/Strength Modeling.ipynb

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427 changes: 0 additions & 427 deletions examples/Surrogates.ipynb

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560 changes: 0 additions & 560 deletions examples/Thermodynamics.ipynb

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