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ESPEI
Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
http://espei.org
MIT License
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Endmembers wrapped in sublattices for fixed configuration datasets should behave as endmembers
#260
bocklund
opened
1 month ago
0
MAINT: Bump pycalphad minimum required version to 0.11.0
#259
bocklund
closed
1 month ago
0
MAINT: Remove included figure from README
#258
bocklund
closed
1 month ago
0
MAINT: Remove ESPEI 0.9 deprecations (plotting and scheduler="None")
#257
bocklund
closed
1 month ago
0
MAINT: Migrate to PyCalphad Workspace
#256
bocklund
closed
1 month ago
1
NumPy 2.0 support
#255
bocklund
closed
2 months ago
1
ENH: Performance improvements for generating candidate models
#254
bocklund
closed
8 months ago
1
FIX: Fix Residual protocol for MCMC for Python 3.11
#253
bocklund
closed
8 months ago
0
FIX: fix dataplot for ternary cases with __HYPERPLANE__
#252
bocklund
closed
8 months ago
1
ENH: Add framework for property model parameter generation
#251
bocklund
closed
8 months ago
3
Consider using pydantic instead of cerberus for the schema and validation
#250
bocklund
opened
10 months ago
0
Add initial/mean point to chains to fix #243
#249
toastedcrumpets
closed
10 months ago
2
MAINT: Migrate from pydantic `PyObject` to `ImportString`
#248
bocklund
closed
10 months ago
0
MAINT: Support pydantic v2
#247
bocklund
closed
1 year ago
1
FIX: Correctly pass parameters through calculate_activity_error
#246
bocklund
closed
1 year ago
0
activity_error does not pass on parameters of current MC state for calculating residuals
#245
tobiasspt
closed
1 year ago
0
Minor ENH to espei_script.py
#244
Zhyrek
closed
1 year ago
1
MCMC Initialized chains should include initial point
#243
toastedcrumpets
closed
10 months ago
1
FIX: Fix isothermal ternary projection dataplots
#241
bocklund
closed
2 years ago
0
FIX: Support varying pressure and P-X plots in dataplot() and ravel_zpf_values()
#240
bocklund
closed
2 years ago
0
FIX: Fix printing bug when refdata is not found
#239
bocklund
closed
2 years ago
0
formatted_parameter broken by SymEngine
#238
bocklund
opened
2 years ago
0
MAINT: Drop Python 3.7 (following NEP-29)
#237
bocklund
closed
2 years ago
0
ENH/MAINT: Refactor residual/likelihood functions
#236
bocklund
closed
2 years ago
1
MAINT: Remove graph of optimizer history
#235
bocklund
closed
2 years ago
0
Add of site fraction data into ESPEI
#234
HUISUN24
closed
2 months ago
3
Error when running Cu-Mg example
#233
latmarat
closed
2 years ago
4
MAINT: Update for CompositionSet-based PyCalphad solver
#232
bocklund
closed
2 years ago
0
Fix small typo on homepage
#231
richardotis
closed
2 years ago
1
Memory leak when running MCMC in parallel
#230
bocklund
opened
2 years ago
3
FIX: Fix generate_symmetric_group for FCC 4SL
#229
bocklund
closed
2 years ago
1
MAINT: Bump minimum pycalphad to 0.10.0 and support Python 3.10
#227
bocklund
closed
2 years ago
0
Unable to use activity data in binary Fe-C with Graphite as reference state
#226
tobiasspt
opened
2 years ago
1
ENH: Performance improvements in parameter selection
#225
bocklund
closed
2 years ago
1
DOC: Refine and update index/readme documentation
#224
bocklund
closed
2 years ago
0
MAINT: Remove all matplotlib gca() calls
#223
bocklund
closed
2 years ago
0
MAINT: scikit-learn: remove normalize parameter
#222
bocklund
closed
2 years ago
0
ENH: Allow entering the `__HYPERPLANE__` phase in ZPF vertices to control the compositions for the target hyperplane
#221
bocklund
closed
2 years ago
2
ENH: Support passing an existing database to load_datasets
#220
bocklund
closed
2 years ago
1
ENH: MCMC: Add support for fitting subsets of the database components given in phase models
#218
bocklund
closed
2 years ago
0
BLD/MAINT: Pin Python version for sphinx-build action
#217
bocklund
closed
2 years ago
0
ENH: Extract the plotting function for plotting predicted non-equilibrium thermochemical data
#216
bocklund
closed
2 years ago
0
TST: Add tests for pickling the context for each MCMC data type
#215
bocklund
closed
2 years ago
0
ENH: Allow multiple datasets directories to be specified in YAML input
#214
bocklund
opened
3 years ago
1
DOC: Document how weights work
#213
bocklund
opened
3 years ago
0
ENH: Use SymEngine in ESPEI
#212
richardotis
closed
2 years ago
3
FIX: Improve sampling of ZPF points for constrained equilibria
#211
bocklund
closed
3 years ago
0
ENH: ZPF error: pull `build_phase_records` out of the vertex loop
#210
bocklund
closed
3 years ago
0
MAINT: Bump minimum pycalphad to 0.9.2
#209
bocklund
closed
3 years ago
0
FIX: Shadow_functions_calculate_: Propagate fixes from Pycalphad calculate to espei shadow functions for associate TDB
#208
wahab2604
closed
3 years ago
2
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