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FIX: sympydiff_utils: Replace some constants to ensure compilation #91

merged 1 commit into from May 12, 2017


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This fixes an issue with some unpublished custom Models reported by a user to have issues when using calculate to compute a property besides GM (e.g., CPM), where that property's symbolic derivative can generate zoo (complex infinity) or the constant PI.

@bocklund This is a quick fix designed to be pushed into a new minor release. (A better fix would fix the code generation side rather than search-and-replace the SymPy object.) There is a workshop next week where the user's work will prominently feature pycalphad, and we want to make sure the calculations run.

@richardotis richardotis requested a review from bocklund May 10, 2017 16:25
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This is fine. Will you open an issue for the long term fix?

@richardotis richardotis merged commit 667ec53 into develop May 12, 2017
@richardotis richardotis deleted the fix_sympydiff_prop_constants branch November 14, 2018 23:53
bocklund added a commit to bocklund/pycalphad that referenced this pull request Aug 17, 2021

* Refactor eq_callables_dict to pycalphad's build_callables

Will require pycalphad>=0.7.1

This means that we can remove eq_callables_dict and the
calculate/equilibrium refactor to merge the callables to one
dict greatly simplifies the passing around of data.

Tests were improved/maintained to test the correct results,
specifically for testing lnprob for ZPF and thermochemical data.

* Add espei version info

* Log version info to debug log and add

* Doctest more stable to stochastic dict ordering
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2 participants