Comments (3)
How to do this is a little ambiguous. For now, we should consider this closed when we can shift the reference state from interacting formation data to mixing data so that users don't have to digitize this themselves.
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We would like to have a SER reference that would allow everything to be referenced to a single point SER energy.
In addition, a per-dataset flag for whether the data includes ideal mixing or not could be useful.
from espei.
Could be implemented based on the solution of pycalphad/pycalphad#55
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Related Issues (20)
- `espei.plot.multiplot` still uses `eqplot`
- Remove deprecated `mcmc.py` in ESPEI 0.8
- Remove deprecated `multiplot` and `eqdataplot` in ESPEI 0.9
- Remove deprecated option of setting the `mcmc.scheduler` to string `"None"` in ESPEI 0.9
- DOC: `make latexpdf` fails with a TeX error
- DOC: add recipes or a tutorial for uncertainty propagation with pycalphad
- DOC: unify the `README.rst` and `docs/index.rst`
- ERROR occurred using the new development version HOT 12
- DOC: more clearly motivate _why_ ESPEI exists and _who_ should use it
- Remove deprecated `plot_parameters` and `_compare_data_to_parameters` in ESPEI 0.9
- MCMC step stucked using the ESPEI 0.8.3 version HOT 10
- Espei not compatible with pycalphad 0.9.1 HOT 3
- DOC: Document how weights work
- ENH: Allow multiple datasets directories to be specified in YAML input HOT 1
- Unable to use activity data in binary Fe-C with Graphite as reference state HOT 1
- Memory leak when running MCMC in parallel HOT 1
- Error when running Cu-Mg example HOT 4
- formatted_parameter broken by SymEngine
- MCMC Initialized chains should include initial point HOT 1
- activity_error does not pass on parameters of current MC state for calculating residuals
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