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After a few discussions, `ThermML` is the first proposed name for the project, but I'm very open to discuss this.
There are a few other suggestions worth discussing:
* XMLTDB: This may be the mo…
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We were using TravisCI to deploy the website from our `website` branch to our AWS bucket, but TravisCI is no longer building on the dot-org domain and our docs aren't getting deployed anymore.
We s…
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The ionic two-sublattice model (I2SL) exists in the DAT format with the code SUBI. I believe this model is supported already for TDB databases, so I'm hopeful that adding support for DAT databases wou…
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Dear Administrator,
The eutectic point calculated by ESPEI is not consistent with the experimental and T-C phase diagrams. I'm not sure whether there is a problem with the data or an error in the opt…
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Due to a known memory leak when instantiating subclasses of SymEngine (one of our upstream dependencies) `Symbol` objects (see https://github.com/symengine/symengine.py/issues/379), running ESPEI with…
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This is a general property that was added to solve a very
specific problem but it adds a layer of abstraction that is
not necessary in general.
1. objects that have structural "non-expression" no…
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Dear Brandon,
There were some problems when I using the 0.8.3 version. It has take a long time when running the MCMC step and finally stuck at the beginning, the log also empties only show some wa…
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I installed MaterialsIO using [`poetry`](https://python-poetry.org/) (see https://github.com/jat255/MaterialsIO/tree/poetry_compat), and I'm getting test failures on the crystal structure parser. It a…
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When lambdifying `Max` to the `numpy` format, `np.amax` is used. This function returns the maximal element of the passed array. While this is the same as the definition of sympy.Max ("Return, if possi…
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DAT files allow for giving an H298, S298, and Cp polynomial terms to construct the Gibbs energy. When there are multiple temperature intervals, each new interval needs to provide a H_transformation an…