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0.6.1 release - #184

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CalebBell merged 85 commits into
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Jul 13, 2026
Merged

0.6.1 release#184
CalebBell merged 85 commits into
releasefrom
master

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0.6.1 release

CalebBell and others added 29 commits March 28, 2026 18:08
Assume `f_der` methods can be tuples
Simplify the interaction between phase objects, equilibrium states, and bulk property calculations so flash-derived behavior is driven by explicit phase data.

- rework Bulk mixing around explicit gas, liquid, and solid subsets

- move phase-to-state conversion and equilibrium-derivative access onto flashers

- clean up flash solution handling and update equilibrium and flash coverage
Consolidate GibbsExcess liquid configuration around explicit basis settings and tighten low-temperature liquid property extrapolation defaults.

- replace legacy GibbsExcess basis flags with equilibrium and caloric basis selection

- move positive-slope liquid-volume extrapolation into TDependentProperty and use it by default

- align pure-property construction and phase coverage with the new defaults
Retire the composition-only gamma helper entry points that duplicated model methods and keep the supported activity-model surface centered on the phase objects themselves.

- remove gammas_args and gammas_from_args helpers from IdealSolution, NRTL, RegularSolution, UNIFAC, UNIQUAC, and Wilson

- drop the related numba registrations and direct-call tests

- keep the remaining activity-model documentation and derivative fixes aligned with the reduced surface
Make stream-state resolution and related utility calculations behave consistently across reactive energy specs, flow reconstruction, and supporting chemistry helpers.

- treat H_reactive as a first-class stream state specification

- simplify stream flow reconstruction paths and align derived bulk totals

- clean up supporting chemistry and balance utilities used by stream workflows
Bring the local branch’s workflow, test, and packaging support files in line with the current project layout and release tooling.

- update GitHub workflow definitions and local task helpers

- simplify shared test configuration and packaging support files

- keep ancillary project metadata and plotting utilities in sync with the maintenance changes
one_liquid/one_other/one_solid were assigned len(x) instead of a
boolean, so the truthy check on any count > 1 skipped the
lowest-Gibbs-energy phase selection and just took index 0. A count
of 0 fell through to the else branch and left lowest_phase as None,
which crashes on the following .fugacities() call.

Affects TVF_pure_newton, TVF_pure_secant, PVF_pure_newton,
PVF_pure_secant, TSF_pure_newton, and PSF_pure_newton in
thermo/flash/flash_utils.py.

Signed-off-by: Mike German <mike@stepsventures.com>
fix: correct multi-liquid selection flag in pure-component flash
# Conflicts:
#	tests/test_flash_vll.py
#	thermo/flash/flash_pure_vls.py
#	thermo/flash/flash_utils.py
#	thermo/flash/flash_vl.py
#	thermo/phases/__init__.py
#	thermo/phases/gibbs_excess.py
#	thermo/utils/t_dependent_property.py
#	thermo/volume.py
@CalebBell
CalebBell merged commit 4f51c43 into release Jul 13, 2026
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3 participants