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Add Gradient Capability - #268

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cjkunselman18 wants to merge 45 commits into

PhasesResearchLab:masterfrom

cjkunselman18:Gradient-based_update

Open

Add Gradient Capability#268
cjkunselman18 wants to merge 45 commits into
PhasesResearchLab:masterfrom
cjkunselman18:Gradient-based_update

Commits on Sep 11, 2024
- Added gradient capability
  cjkunselman18
  authored
  d365a94
- Added gradient capability
  cjkunselman18
  authored
  a3f1205
- Added gradient capability
  cjkunselman18
  authored
  fcbed85
Commits on Sep 19, 2024
- Added gradient capability
  cjkunselman18
  authored
  d3f38df
Commits on Sep 26, 2024
- Update activity_error.py
  cjkunselman18
  authored
  d4f9b40
- Update equilibrium_thermochemical_error.py
  cjkunselman18
  authored
  4c593c1
- Update non_equilibrium_thermochemical_error.py
  cjkunselman18
  authored
  a504e90
- Update zpf_error.py
  cjkunselman18
  authored
  97f4eb1
Commits on Oct 24, 2024
- Update zpf_error.py
  cjkunselman18
  authored
  e57a991
Commits on Nov 4, 2024
- Update equilibrium_thermochemical_error.py
  cjkunselman18
  authored
  3ac40d8
- Update zpf_error.py
  cjkunselman18
  authored
  5299e4a
Commits on Nov 7, 2024
- Update non_equilibrium_thermochemical_error.py
  cjkunselman18
  authored
  2ca3fc5
- Update equilibrium_thermochemical_error.py
  cjkunselman18
  authored
  9b52326
- Update non_equilibrium_thermochemical_error.py
  cjkunselman18
  authored
  2c19c2f
Commits on Dec 6, 2024
- Update activity_error.py
  cjkunselman18
  authored
  e2f79d5
- Update non_equilibrium_thermochemical_error.py
  cjkunselman18
  authored
  908bbbf
- Update zpf_error.py
  cjkunselman18
  authored
  56c1611
- Update opt_mcmc.py
  cjkunselman18
  authored
  591d968
- Update test_error_functions.py
  cjkunselman18
  authored
  9fffa7c
- Update zpf_error.py
  cjkunselman18
  authored
  55c5f7d
Commits on Apr 24, 2025
- Update activity_error.py
  cjkunselman18
  authored
  ca89722
- Update equilibrium_thermochemical_error.py
  cjkunselman18
  authored
  dd4f9f0
- Update non_equilibrium_thermochemical_error.py
  cjkunselman18
  authored
  c995edf
- Update zpf_error.py
  cjkunselman18
  authored
  0ebfeaa
Commits on Apr 25, 2025
- Update zpf_error.py
  cjkunselman18
  authored
  4888897
Commits on Jul 31, 2025
- Activity error bugfix when there is no activity data (gradients should be zero vector of parameters, not an empty list)
  bocklund
  committed
  a69125b
Commits on Aug 17, 2025
- Update scipy optimizer
  bocklund
  committed
  fb035ac
Commits on Oct 30, 2025
- Merge branch 'master' into pr/cjkunselman18/268
  bocklund
  committed
  ec7c9f3
Commits on Oct 23, 2026
- Merge branch 'master' into gradients-base
  bocklund
  committed
  2186ab1
- Restore symbol-based parameters and master's value path
  bocklund
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  03b9a87
- Never modify the caller's Database
  bocklund
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  11f1e5a
- Add opt-in likelihood gradients to the residual functions
  bocklund
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  b5398df
- Copy sampled site fractions before building a ZPF CompositionSet
  bocklund
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  e01e8b5
- Add the shared parameter gradient test suite
  bocklund
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  8142916
- Compute parameter sensitivities in NumPy
  bocklund
  committed
  e36e379
- Test tangents at a dilute reference state
  bocklund
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  dad1888
- Merge branch 'gradients-base' into gradients-tangent-numpy
  bocklund
  committed
  9ccda73
- Allow rounding-level residuals in the NumPy tangent
  bocklund
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  f1cc092
- Look up parameter positions once per PhaseRecordFactory
  bocklund
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  6e40eba
Commits on Oct 24, 2026
- Test ZPF data of a subsystem without some fitted parameters
  bocklund
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  34e85cc
- Exclude model contributions from _FORM properties
  bocklund
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  e5e470d
- Read ZPF and equilibrium-property parameters in symbols_to_fit order
  bocklund
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  9039ea2
- Trim the parameter gradient tests to minimal checks
  bocklund
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  af4254b
- Fold the Database isolation tests into a SciPyOptimizer fit test
  bocklund
  committed
  82df379
- Remove the unused BACKEND constant
  bocklund
  committed
  1e90221

Commits

Commits on Sep 11, 2024

Commits on Sep 19, 2024

Commits on Sep 26, 2024

Commits on Oct 24, 2024

Commits on Nov 4, 2024

Commits on Nov 7, 2024

Commits on Dec 6, 2024

Commits on Apr 24, 2025

Commits on Apr 25, 2025

Commits on Jul 31, 2025

Commits on Aug 17, 2025

Commits on Oct 30, 2025

Commits on Oct 23, 2026

Commits on Oct 24, 2026