qiangyicheng / flory

Python package for finding coexisting phases in multicomponent mixtures.
https://flory.readthedocs.io/en/latest/
MIT License
4 stars 1 forks source link

Add equilibration_error to `FreeEnergyBase` #15

Closed qiangyicheng closed 3 weeks ago

qiangyicheng commented 2 months ago

This function would help to determine whether the phases are in balance with each other.

Currently by default the function returns the distance (norm) to the average chemical potential, which is a vector with the length of number of phases.

codecov[bot] commented 2 months ago

Codecov Report

Attention: Patch coverage is 66.66667% with 5 lines in your changes missing coverage. Please review.

Files with missing lines Patch % Lines
flory/common/math.py 44.44% 5 Missing :warning:
Flag Coverage Δ
Tests 87.73% <66.66%> (-0.20%) :arrow_down:

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Files with missing lines Coverage Δ
flory/entropy/ideal_gas.py 100.00% <100.00%> (+1.56%) :arrow_up:
flory/free_energy/base.py 84.28% <100.00%> (+0.95%) :arrow_up:
flory/common/math.py 44.44% <44.44%> (ø)