Comments (3)
richardotis
commented on May 26, 2024
- Rewrite
energy_surfto use xray internally, instead of pandas - Finish new
equilibriumroutine and deprecate theEquilibriumclass
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richardotis
commented on May 26, 2024
As of 18928ef this is mostly implemented. Some of the features with phase statuses and dealing with weight fraction/other advanced conditions will get peeled off into a separate issue for a later version milestone.
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richardotis
commented on May 26, 2024
Most of this is in master now, except
- 'Dormant' phase status (or any notion of phase status besides whether it's specified)
- Custom path calculations (more properly thought of as pointwise conditions indexing)
- Weight fractions, chemical potential or phase amount conditions
These features won't make it into 0.2, and I'm not sure if it's a priority for 0.3. There are performance issues with the new engine, and the automated model fitting is a priority over the next few weeks. If someone wants to open a new issue with any of the remaining topics in this issue, I'd be happy to discuss and collaborate on it.
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