Pycalphad

Latest version: v0.11.0

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0.6.1

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This is a minor release with bug fixes and new features.

* ENH: tdb: Add more command parsing: TEMPERATURE_LIMITS, DATABASE_INFO, VERSION_DATE, REFERENCE_FILE, ADD_REFERENCES
* FIX: tdb: Allow '-' character in phase names.
* ENH/FIX: tdb: Allow comma character to specify default low temperature limit (0.01 K)

0.6

----------------

This is a major release with new features, bug fixes and performance improvements.

* Users updating from an earlier version should follow the updated installation instructions to ensure they have all the correct dependencies.
* MAINT: Python 3.4 support has been dropped ( :issue:`145` ).
* MAINT: Windows Python 2.7 32-bit support has been dropped. 64-bit is still supported.
* ENH: A new solver based on the optimization package IPOPT has been implemented, leading to increased accuracy and lower memory consumption ( :issue:`124` ).
* ENH: Windows users no longer have to install the Microsoft C compiler if they use Anaconda. The installer will now automatically download a MinGW-based compiler toolchain.
* DOC: The documentation has been updated and expanded ( :issue:`146` ).
* ENH: calculate: Automatically suspend inactive phases from calculation ( :issue:`141` ).
* ENH: Tielines can now be toggled on and off in phase diagrams ( :issue:`136` ).
* ENH: Species support in Database and TDB read/write ( :issue:`137` ).
* FIX: Axis labeling bug in eqplot due to leaking list comprehension variable.
* FIX: Maintain sorted state variable ordering when one or more state variables is left as default ( :issue:`116` ).
* MAINT: Cleanup refdata, fitting, and core.eqresult modules ( :issue:`135` ).
* FIX: tdb: Update float parsing regex ( :issue:`144` ).

0.5.2

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This is a minor release with a new feature, bug fixes and performance improvements.

* ENH: Add ternary isothermal phase diagram plotting. ( :issue:`98` ).
* FIX: sympy 1.1 compatibility ( :issue:`108` ).
* ENH/FIX: Make equilibrium Datasets serializable to netCDF ( :issue:`111` ).
* FIX: Raise an error if invalid keyword arguments are passed to Database.write ( :issue:`117` ).
* ENH/DOC: Remove log.py module ( :issue:`104` ).
* FIX: Mistake in the Cementite Analysis example ( :issue:`91` ).

0.5.1

------------------

This is a minor release with bug fixes.

* FIX: Custom Models involving certain mathematical constants will compile. Fixes :issue:`91`.
* FIX: Undefined symbols in CompiledModel are automatically set to zero. Fixes :issue:`90`.

0.5

----------------

This is a major release with bug fixes and performance improvements.

* Python 3.6 is now supported. Python 3.3 support has been dropped.
* The equilibrium solver is now significantly faster and more robust. A new Cython-based implementation of the Model class,
CompiledModel, has virtually eliminated cold-start calculation time.
* Cython is now a run-time and build-time dependency. Obsolete dependencies have been removed. Windows is still supported
with the caveat that users will need to install the Microsoft Visual C++ Build Tools to get a working C compiler.
* The [pycalphad paper](http://doi.org/10.5334/jors.140) has been published.
* The progress bar has been removed along with the dependency on tqdm.
* ENH: Raise warning if unused kwargs are passed to equilibrium
* ENH: TDB compatibility: All characters after command delimiters should be ignored.
* FIX: Fix solver when sum of compositions > 1
* DOC: calculate: Add default pdens value to docstring. Fixes :issue:`85`.
* FIX: Indexing errors ( :issue:`63` ).
* FIX: eqsolver: Handle component index correctly when VA is not last component in alphabetical order. Fixes :issue:`62`.
* ENH: calculate/equilibrium: Add parameters kwarg to allow users to override Database FUNCTIONs.
* DOC: Add Getting Help section to readme and docs.
* FIX: binplot: Fix ordering of phase labels and colors.
* tdb: Make ELEMENT grammar more strict to catch typos easier. Fixes :issue:`57`.
* ENH: Caching rewrite and performance increase. Database objects are now hashable.
* ENH: calculate: Performance enhancements via profiling.
* ENH: equilibrium: Break computation up into parallelizable pieces using dask.

0.4.2

------------------

This is a minor feature release with one breaking change.

* There is now support for the Xiong magnetic model (Xiong et al, Calphad, 2012), two-state liquid-amorphous model,
and Einstein model in the Model class. TDB support has been extended where necessary.
* ENH/BRK: Model: Add 'contributions' class attribute to make it easier for users to define custom energetic
contributions. The API for custom contributions has changed; the old method will no longer work.
* FIX: equilibrium: Correctly use custom models during property calculation with ``output`` keyword argument.

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