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updated patterns in Cij_symmetry #196

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merged 12 commits into from
Dec 12, 2023
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jbjacob94
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updated patterns in Cij_symmetry to form the stiffness matrix in different symmetries, according to this paper:
Mouhat, F., & Coudert, F.-X. (2014). Necessary and sufficient elastic stability conditions in various crystal systems. Physical Review B, 90(22), 224104

…ties function

- corrected a few mistakes and typos in function description
- corrected a mistake in convert_tensors_to_vect
- changed invariant_prop function to return von Mises stress / strain instead of octahedral shear stress / strain
@jbjacob94
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Should we find another name instead of "eps_sig_solver_NEW.py" ? I added the 'NEW' string to avoid overwriting the former code in eps_sig_solver.py, but this is not a very informative title. Maybe eps_sig_solver_py3, to mention it is free of any python 2 dependency?

@jonwright
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No - please keep the python 2 dependency! Otherwise. we cannot test it against FitAllB.

@jbjacob94
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It is just the file name, this should not affect dependencies, no?

@jonwright
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For the name I would go for something shorter, like "stress.py" for example. We can move the older code into the depreciated folder if the functionality is replaced.

@jbjacob94
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ok, go for it!

@jonwright
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If I do it now you will need to rebase / merge the change. Isn't it easier to fix the errors in Actions on this one, merge it, and then rename? You can just do:

git mv eps_sig_solver_NEW.py stress.py
git mv eps_sig_solver.py depreciated/

... and at the same time fix the typos.

@jonwright
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Are you seeing the CI?

# stop the build if there are Python syntax errors or undefined names
./ImageD11/stress.py:353:[18](https://github.com/FABLE-3DXRD/ImageD11/actions/runs/7179915400/job/19551108622?pr=196#step:6:19): F821 undefined name 'invariants_quantities'
        Invts = [invariants_quantities(T) for T in tensor_list]
                 ^
./build/lib.linux-x86_64-cpython-38/ImageD11/stress.py:353:18: F821 undefined name 'invariants_quantities'
        Invts = [invariants_quantities(T) for T in tensor_list]
                 ^
2     F821 undefined name 'invariants_quantities'

@jonwright jonwright merged commit 34c0a95 into FABLE-3DXRD:master Dec 12, 2023
2 of 4 checks passed
@jbjacob94
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Yes, I can see the CI. I just did a mess by mixing up different version, and was trying to restore everything back to normal. I thought all this was only happening into my branch, not on the main one. Sorry if you have received tons of error messages...

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2 participants