Brandon Bocklund
Brandon Bocklund
**Describe the bug** The `Structure.get_sorted_structure` method seems to clobber `magmom` attributes. As a consequence, all `DictSet` subclasses don't allow setting magnetic moments using site properties by default, since the default...
This test is a convergence failure for Cr-Ti-V in a three phase region. It seems to be representative of a class of convergence failures where a starting point of 3...
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...
An API to a general effect of `propplot(res_dataset, x='T', y='CPM')` (name TBD). Should work equally well for equilibrium properties and calculated properties and be generally aware of phases (e.g. different...
MQMQA models in the DAT format can have mixing code `Q`, `G`, or `B` that correspond to different excess equations. Right now `Q` and `G` are implemented in `ModelMQMQA.excess_energy`, but...
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...
Our MQMQA implementation uses chemical groups to decide how to extrapolate binary excess parameters in ternary systems. ChemSage DAT files seem to have syntax that allows users of the MQMQA...
`_compute_phase_values` calls `extract_parameters(parameters)` which requires that `parameters` be a dictionary. If `parameters=None`, then `extract_parameters` will raise with: ```python def extract_parameters(parameters): """ Extract symbols and values from parameters. Parameters ---------- parameters...
`Species(None)` is used several places in the code, including `diffusing_species` in the Database parameters. ```python >>> repr(v.Species(None)) 'None' >>> repr(v.Species("A")) "Species('A', 'A1.0')" >>> str(v.Species(None)) '' >>> str(v.Species("A")) 'A' ``` If...
1. The logo can be customized to light and dark in the furo theme (see [here](https://pradyunsg.me/furo/customisation/logo/#different-logos-for-light-and-dark-mode)). We need to decide on how we want the dark mode logo to look:...