Brandon Bocklund

Enable saving the random state, so that restarts are still reproducible

1

ESPEI can be deterministic and reproducible, but restarting resets the random state. That means running for 1000 steps in one run and two runs of 500 steps each (1000 total)...

Unary plugins (see [the unary skeleton repo](https://github.com/PhasesResearchLab/ESPEI-unary-refstate-skeleton)) need to be written with the energy functions as valid SymPy expressions using pycalphad StateVariables. Many users have unary Gibbs energies and pure...

Sublattice site ratios in the phase models are silently allowed to be inconsistent with JSON datasets

1

Currently ESPEI uses only what is in the phase models file (containing all the sublattice models), while the site ratios in the data files are not actually used other than...

All the settings validation should happen in one place. Ideally this class could be used to help motivate defined boundaries between running ESPEI and defining models.

xarray support

19

Is it possible or planned that xarray be supported natively? You can't pass in Datasets or DataArrays directly to altair. Using `.to_dataframe()` doesn't quite work either because xarray creates a...