Brandon Bocklund

Feature request: Piecewise expressions

3

Would it be possible to wrap the Piecewise expressions from SymEngine? If so, what needs to be done?

Make calculation Fireworks able to be chained

6

General calculation Fireworks such OptimizeFW cannot be chained. OptimizeFW doesn't use `WriteVaspStaticFromPrev` (or any kind of `WriteVasp*FromPrev`). This makes executing graphs such as the one below hard to do because...

Mapping

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This (_DRAFT_) PR adds support for a new mapping system in PyCalphad, in the spirit of the algorithm published by [Sundman _et al._](https://doi.org/10.1016/j.calphad.2021.102330). This PR is the culmination of significant...

Charged phases that cannot charge balance raise errors

3

### Discussed in https://github.com/pycalphad/pycalphad/discussions/502 Originally posted by **zliang1990** December 13, 2023 Hi Richard (@richardotis), My name is Zhi Liang, Materials Design Engineer in QuesTek. When I recently attempted to run...

Currently, sublattices in ordered (partitioned) phases are considered equivalent by symmetry if their site ratios are equal. This is a poor heuristic and will fail to determine that sublattices 0...

Notes from first time usage and APIs

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calculate_KS2022_randomSolutions always prints all input in parallel mode https://github.com/PhasesResearchLab/pySIPFENN/blob/b3bec0478d9faf0476c58072b617ee5710621dc9/pysipfenn/core/pysipfenn.py#L612 It may be kind of noisy to always print the input without being behind a verbose flag if the `compList` is...

Switching the symbolic backend to SymEngine broke `espei.utils.formatted_parameter`. Here's a test to validate (run from the `tests` directory for the `testing_data` module to be importable). ```python # espei/tests/test_utils.py from pycalphad...