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CPA revamp #244

Merged
merged 13 commits into from
Dec 20, 2023
Merged

CPA revamp #244

merged 13 commits into from
Dec 20, 2023

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longemen3000
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  • unifies sCPA and CPA by using just a symbol to select rdf
  • allows Pc to be optional, so you only pass (a,b,c1,Tc) for non-assoc and (n_H,n_e,epsilon_assoc,bondvol) as additional parameters for assoc
  • looking at the literature, there is a split on passing epsilon_assoc as energy parameters or as temperature parameters (ϵ_ab/R). we now support both, via passing epsilon_assoc_over_R.
    addresses CPA example please #239, solves Move CPA input to use SI values #242

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codecov bot commented Dec 20, 2023

Codecov Report

Attention: 8 lines in your changes are missing coverage. Please review.

Comparison is base (af65700) 79.61% compared to head (8f3bb4a) 79.57%.

Files Patch % Lines
src/models/SAFT/CPA/CPA.jl 80.48% 8 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #244      +/-   ##
==========================================
- Coverage   79.61%   79.57%   -0.04%     
==========================================
  Files         280      280              
  Lines       19397    19384      -13     
==========================================
- Hits        15443    15425      -18     
- Misses       3954     3959       +5     

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@longemen3000 longemen3000 merged commit 634f068 into master Dec 20, 2023
18 of 22 checks passed
@longemen3000 longemen3000 deleted the CPA_SI branch December 26, 2023 03:41
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