Espei

Latest version: v0.9.0

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0.4.1

==================

* Enable plotting of isothermal sections with data using ``dataplot`` (and ``multiplot``, etc.)
* Tielines are now plotted in ``dataplot`` for isothermal sections and T-x phase diagrams
* Add a useful ``ravel_conditions`` method to unpack conditions from datasets

0.4

================

* MCMC is now deterministic by default (can be toggled off with the ``mcmc.deterministic`` setting).
* Added support for having no scheduler (running with no parallelism) with the ``mcmc.scheduler`` option set to ``None``. This may be useful for debugging.
* Logging improvements

- Extraneous warnings that may be confusing for users and dirty the log are silenced.
- A warning is added for when there are no datasets found.
- Fixed a bug where logging was silenced with the dask scheduler

* Add ``optimal_parameters`` utility function as a helper to get optimal parameter sets for analysis
* Several improvements to plotting

- Users can now plot phase diagram data alone with ``dataplot``, useful for checking datasets visually. This changes the API for ``dataplot`` to no longer infer the conditions from an equilibrium ``Dataset`` (from pycalphad). That functionality is preserved in ``eqdataplot``.
- Experimental data points are now plotted with unique symbols depending on the reference key in the dataset. This is for both phase diagram and single phase parameter plots.
- Options to control plotting parameters (e.g. symbol size) and take user supplied Axes and Figures in the plotting functions. The symbol size is now smaller by default.

* Documentation improvements for API and separation of theory from the Cu-Mg example
* Fixes a bug where elements with single character names would not find the correct reference state (which are typically named GHSERCC for the example of C).
* [Developer] All MCMC code is moved from the ``paramselect`` module to the ``mcmc`` module to separate these tasks
* [Developer] Support for arbitrary user reference states (so long as the reference state is in the ``refdata`` module and follows the same format as SGTE91)

0.3.1.post2

========================

* Propagate the new entry point to setup.py

0.3.1.post1

========================

* Fix for module name/function conflict in entry point

0.3.1

==================

* ESPEI is much easier to run interactively in Python and in Jupyter Notebooks
* Reference data is now included in ESPEI instead of in pycalphad
* Several reference data fixes including support for single character elements ('V', 'B', 'C', ...)
* Support for using multiprocessing to parallelize MCMC runs, used by default (olivia-higgins)
* Improved documentation for installing and developing ESPEI

0.3.post2

======================

* Add input-schema.yaml file to installer

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