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MAINT: Migrate to PyCalphad Workspace #256
MAINT: Migrate to PyCalphad Workspace #256
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… doesn't do anything
… for what should be a zero
Added some code to utilize a special This is pretty close to being able to be merged, but there's a significant performance regression for ZPF data (~20x slowdown) that I want to fix, or at least make a significant dent in. |
Workspace
. This allowed us to remove severalespei.shadow_functions
that are no longer necessary.Workspace
, ESPEI no longer needs to use a heuristic and hack the solver to prevent adding composition sets for constrained equilibria in ZPF data because this functionality is replaced byIsolatedPhase
. This should resolve several bugs where the heurisitic for choosing points was too narrow (not allowing any points to be selected) or too broad (with bad starting points selected that could give metastable equilibria).PhaseRecordFactory
objectsunpack_components
->unpack_species
ImmutableDenseMatrix
of symbolic coefficients in parameter selection now that PyCalphadSymbol
objects define a__getitem__
method. See Subclassed Symbols that define__getitem__
breakDenseMatrix
symengine/symengine.py#485 for more details.points
matricies inplot_endmember
andplot_interaction
(_compare_data_to_parameters
is getting removed as deprecated in a future PR)Some out of scope things for future work:
update_phase_records
, as this is a non-trivial amount of time in benchmarking